data_5j6z_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 5j6z _Structure_validation_residue.Date_analyzed 2017-04-07 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 m -80.71 75.39 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.483 0.659 . . . . 0.0 110.837 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.98 -37.94 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.537 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.8 m -71.39 95.79 1.39 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.791 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p -93.51 -8.62 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.24 0.543 . . . . 0.0 110.625 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.39 149.79 50.13 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.17 44.44 1.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.613 2.208 . . . . 0.0 113.541 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -96.82 18.55 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.697 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.27 129.43 37.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.187 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.72 125.72 16.02 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.619 2.213 . . . . 0.0 112.218 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HD2' ' O ' ' A' ' 28' ' ' SER . 58.0 Cg_exo -55.1 162.9 4.89 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.315 2.677 . . . . 0.0 112.412 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.34 115.79 6.69 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.401 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.56 141.79 92.64 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.021 2.481 . . . . 0.0 112.291 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -99.4 131.99 45.04 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.365 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG11 HD12 ' A' ' 23' ' ' ILE . 69.3 t -105.3 110.67 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.403 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.34 168.44 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 52.02 62.16 2.84 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 124.156 0.91 . . . . 0.0 111.431 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.02 121.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.447 0.641 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -97.31 -166.96 1.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.336 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.9 -40.73 87.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.667 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 6.8 p -138.79 23.64 2.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 3.8 p -152.4 153.86 34.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.751 0.31 . . . . 0.0 111.817 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' B' ' 71' ' ' THR . 23.6 pt -139.48 167.48 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.246 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -111.32 104.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.71 119.43 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.214 0.53 . . . . 0.0 109.655 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -117.16 135.47 53.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.398 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -127.98 151.66 48.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.976 0.417 . . . . 0.0 110.831 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.573 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 16.1 m -102.39 114.22 28.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 6.3 ppt_? -90.74 146.4 33.99 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 122.753 2.302 . . . . 0.0 112.013 179.295 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' B' ' 32' ' ' ARG . 2.8 mmp_? 59.47 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.605 0.566 . . . . 0.0 111.912 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.1 -60.33 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.512 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m 63.96 32.47 13.08 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.017 0.527 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -81.52 128.29 33.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.144 0.497 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -169.7 129.68 0.93 Allowed Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.568 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.41 72.92 3.46 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.673 2.248 . . . . 0.0 111.632 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -66.15 121.16 75.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.294 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.3 44.8 1.68 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.949 2.433 . . . . 0.0 112.46 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.468 ' HA ' ' OE1' ' B' ' 89' ' ' GLN . 46.0 m -154.65 70.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -132.64 107.52 8.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.584 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.426 HG23 ' CE1' ' B' ' 45' ' ' TYR . 3.9 mp -86.69 130.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.426 . . . . 0.0 110.652 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -89.83 -35.47 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -162.52 145.37 11.14 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.742 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.453 ' CE2' ' HA2' ' B' ' 65' ' ' GLY . 49.1 m-85 -105.39 126.27 51.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.433 ' N ' HD12 ' B' ' 46' ' ' ILE . 3.2 mp -102.84 118.53 49.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.4 ' CD2' HD22 ' B' ' 85' ' ' LEU . 0.3 OUTLIER -96.65 113.69 25.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.512 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 93.6 mtt180 -113.32 125.99 54.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.435 ' NE1' ' HD2' ' B' ' 59' ' ' LYS . 29.3 p90 -134.59 145.21 48.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.056 0.455 . . . . 0.0 110.877 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -151.67 132.27 7.4 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.518 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.474 ' HB2' ' OD1' ' B' ' 53' ' ' ASN . 42.5 Cg_endo -68.39 145.26 64.66 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.243 1.962 . . . . 0.0 111.781 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.506 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.474 ' OD1' ' HB2' ' B' ' 51' ' ' PRO . 3.7 p-10 -81.08 -4.33 54.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.495 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 26.3 m -126.17 126.86 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.532 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.06 9.64 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.718 0.771 . . . . 0.0 109.789 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.33 -119.83 0.83 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 113.646 -176.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -86.2 146.16 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 112.399 -170.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -92.23 144.39 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 63.1 mttm -85.29 130.73 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 44.1 mt-10 -115.46 128.29 55.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.025 0.44 . . . . 0.0 111.724 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.46 127.84 41.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.717 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.0 m -98.88 125.02 44.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.232 0.539 . . . . 0.0 111.069 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.95 131.93 21.7 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.88 139.93 24.34 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.05 2.5 . . . . 0.0 112.504 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.453 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -73.71 52.8 2.0 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.748 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -161.05 14.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.158 0.504 . . . . 0.0 110.038 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 mt -112.95 156.72 22.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -124.99 2.79 8.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -149.94 150.14 31.42 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.019 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -142.0 137.34 31.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.381 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 47.4 m -93.03 99.72 12.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.031 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 22' ' ' SER . 50.4 mt -76.27 116.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.484 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -103.66 132.59 49.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.01 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.8 29.34 3.12 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.236 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.667 ' O ' ' HA ' ' A' ' 21' ' ' THR . 94.2 mt -103.61 123.64 47.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.601 0.239 . . . . 0.0 110.366 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -73.68 130.92 82.8 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.888 0.375 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.31 119.42 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.846 2.364 . . . . 0.0 112.116 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.82 41.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.162 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.4 t -121.42 128.07 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.504 ' HA ' ' HB ' ' B' ' 102' ' ' THR . 41.8 t -74.26 130.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.027 0.442 . . . . 0.0 110.688 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.73 151.11 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 34.5 mt-10 -102.09 137.16 40.73 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 169.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.72 143.53 14.7 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.622 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -134.68 122.88 22.85 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' B' ' 47' ' ' LEU . 3.3 tm? -102.09 106.52 17.41 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 174.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.467 HG22 HG22 ' B' ' 96' ' ' VAL . 3.9 mp -102.17 108.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 110.117 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -90.04 111.9 23.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.326 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.32 105.24 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.468 ' OE1' ' HA ' ' B' ' 40' ' ' SER . 47.0 mt-30 -85.06 150.93 24.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.561 . . . . 0.0 110.823 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.31 -25.5 15.15 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.543 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -85.27 7.8 20.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.017 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.6 15.05 80.39 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.89 121.53 32.09 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -106.75 122.25 45.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.018 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -115.1 117.88 31.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.158 173.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.467 HG22 HG22 ' B' ' 86' ' ' ILE . 51.7 t -105.1 113.45 42.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.391 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 30.4 m -101.63 110.62 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.952 0.406 . . . . 0.0 110.079 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -89.44 128.35 35.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.847 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -136.33 178.47 7.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.014 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.04 158.37 44.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.912 0.387 . . . . 0.0 111.198 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -135.46 149.62 49.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.348 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.504 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 2.9 m 70.27 31.94 2.98 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.796 0.808 . . . . 0.0 109.914 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 11.1 p -108.91 -36.38 6.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.084 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.5 m -80.16 75.32 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.368 0.604 . . . . 0.0 110.149 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 7.9 m -98.48 95.69 7.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -78.72 57.46 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.621 0.724 . . . . 0.0 110.708 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 11.4 m -88.07 55.97 3.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.584 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 18.8 m -71.31 116.83 51.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.317 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.94 54.89 5.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.928 2.418 . . . . 0.0 112.961 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.65 62.26 6.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.192 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.1 t -83.95 80.39 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -83.82 109.08 17.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.809 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 23.6 m -105.67 -12.1 16.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.934 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -77.98 109.54 12.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.042 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -147.22 27.88 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.488 0.661 . . . . 0.0 109.829 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -135.1 120.2 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.278 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -81.68 121.07 25.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -78.48 163.02 25.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.16 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 82.2 t60 . . . . . 0 C--O 1.248 0.979 0 O-C-N 123.567 0.542 . . . . 0.0 110.125 -178.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -74.47 -15.96 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.01 0.434 . . . . 0.0 110.903 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.05 79.71 8.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -119.43 63.63 0.8 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.956 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.6 t -57.53 135.53 56.64 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.63 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.06 71.56 1.19 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.23 -12.91 25.66 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.796 2.331 . . . . 0.0 111.607 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -94.62 38.1 1.11 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.797 0.808 . . . . 0.0 109.82 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.04 146.4 34.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.642 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.42 124.96 15.21 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.863 2.375 . . . . 0.0 112.361 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD2' ' O ' ' A' ' 28' ' ' SER . 85.5 Cg_exo -49.41 147.43 12.41 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.31 2.673 . . . . 0.0 112.338 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.92 117.69 3.99 Favored Pre-proline 0 N--CA 1.465 0.321 0 CA-C-N 115.241 -0.891 . . . . 0.0 112.392 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.91 147.55 73.01 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.365 2.71 . . . . 0.0 112.785 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -109.67 137.29 47.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -106.21 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -120.41 162.82 18.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 51.7 79.63 0.1 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.193 0.933 . . . . 0.0 112.176 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.15 121.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.235 0.541 . . . . 0.0 110.525 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -86.81 -158.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.664 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -71.01 -34.46 71.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 2.6 p -148.27 29.1 0.88 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 7.3 p -152.01 157.35 41.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.157 -0.339 . . . . 0.0 111.609 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' B' ' 71' ' ' THR . 29.6 pt -136.93 164.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.55 105.75 19.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 169.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -101.7 121.28 52.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.061 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -120.73 156.04 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.968 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -148.63 141.9 25.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.553 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 15.5 m -96.02 133.04 40.74 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HD3' ' H ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -89.44 145.67 34.34 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.154 177.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.247 0.97 0 C-N-CA 122.582 2.188 . . . . 0.0 112.355 179.788 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 32' ' ' ARG . 45.6 ttm180 -128.07 81.19 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.121 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.51 91.36 0.11 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.185 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p -82.39 -25.76 33.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.138 0.494 . . . . 0.0 110.127 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -86.05 -38.08 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.074 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.411 ' HB1' ' HG3' ' B' ' 39' ' ' PRO . . . -126.53 107.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.954 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.74 71.58 4.01 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.141 2.561 . . . . 0.0 112.576 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' B' ' 41' ' ' HIS . 69.1 mt-30 61.43 82.88 0.21 Allowed Pre-proline 0 N--CA 1.465 0.323 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.411 ' HG3' ' HB1' ' B' ' 36' ' ' ALA . 31.9 Cg_exo -57.08 -64.41 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.088 2.525 . . . . 0.0 112.752 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.623 ' HA ' ' OE1' ' B' ' 89' ' ' GLN . 31.5 p -89.6 52.57 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 0.0 111.042 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' B' ' 38' ' ' GLN . 14.1 t-80 -95.67 108.78 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.838 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.446 ' O ' ' HA3' ' B' ' 65' ' ' GLY . 3.6 mp -81.85 127.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.695 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.8 m -80.19 -39.58 28.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.577 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -156.29 140.65 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 82.3 m-85 -101.32 129.76 47.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.416 HD13 ' N ' ' B' ' 46' ' ' ILE . 2.7 mp -107.8 117.07 52.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.067 0.46 . . . . 0.0 109.787 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 113.15 24.74 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.668 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 93.0 mtt180 -113.22 118.91 35.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.3 p90 -125.17 145.6 49.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 110.651 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -149.72 127.28 5.62 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.696 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.492 ' HG3' ' CE1' ' B' ' 81' ' ' TYR . 32.8 Cg_exo -60.25 142.84 99.16 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.333 2.022 . . . . 0.0 111.291 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -58.75 -28.86 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.658 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -80.99 -11.35 59.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 35.6 m -106.94 133.26 51.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.91 9.92 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.486 0.66 . . . . 0.0 110.028 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.8 -77.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.7 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -150.06 161.1 43.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.038 0.447 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -89.33 130.54 35.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.74 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 95.7 mttt -74.54 136.35 42.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 41.3 mt-10 -113.79 142.29 46.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 111.512 -173.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' B' ' 46' ' ' ILE . . . -136.15 134.72 38.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.544 172.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -107.2 111.76 24.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.98 123.68 35.54 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.991 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -48.08 142.24 16.16 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.871 2.381 . . . . 0.0 112.356 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.563 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -75.82 48.84 2.38 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.873 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -164.02 22.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -113.19 -52.36 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.31 39.25 22.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.151 0.501 . . . . 0.0 111.147 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -168.64 133.42 1.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.115 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -146.04 144.44 30.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.86 0.362 . . . . 0.0 110.187 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 54.8 m -107.41 99.04 8.59 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.113 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' SER . 36.4 mt -74.79 122.87 29.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.972 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -108.94 148.21 31.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.813 0.34 . . . . 0.0 110.208 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.45 20.84 23.8 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.805 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 21' ' ' THR . 87.7 mt -92.73 125.34 37.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.347 . . . . 0.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -85.6 122.5 73.28 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.302 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.01 136.96 36.41 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.712 2.275 . . . . 0.0 112.267 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.69 2.33 79.06 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.071 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -105.92 139.29 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.8 t -83.97 112.49 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . 0.492 ' CE1' ' HG3' ' B' ' 51' ' ' PRO . 57.9 m-85 -103.07 145.08 30.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.008 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 31.9 mt-10 -102.56 132.93 48.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.63 144.87 16.28 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.715 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.477 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 39.5 mt-30 -132.98 125.89 30.75 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -97.69 111.04 23.48 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.483 HG22 HG21 ' B' ' 96' ' ' VAL . 15.2 mt -108.07 105.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.366 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.414 ' HB2' HG12 ' B' ' 42' ' ' ILE . 24.9 p -92.33 117.61 30.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 15.4 mm -95.51 107.39 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.623 ' OE1' ' HA ' ' B' ' 40' ' ' SER . 43.9 mt-30 -85.21 158.49 20.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.871 0.367 . . . . 0.0 110.279 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -67.74 -3.76 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.121 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -105.28 17.53 23.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.0 110.729 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.91 11.89 84.35 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.968 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.93 125.46 31.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -111.93 118.47 35.58 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -108.68 119.98 41.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.707 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.483 HG21 HG22 ' B' ' 86' ' ' ILE . 40.8 t -110.12 107.15 22.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 19.0 m -98.86 112.99 24.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.477 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 71.7 mtt180 -93.88 136.33 34.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.21 0.529 . . . . 0.0 111.45 -174.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -150.18 -179.26 7.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.992 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.47 158.89 43.33 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' B' ' 103' ' ' THR . 35.9 p90 -156.15 174.52 15.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.869 -175.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.3 m 74.56 -37.84 0.37 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.252 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 101' ' ' PHE . 10.2 t -72.79 -24.75 60.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 19.9 m -79.16 82.5 5.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.206 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 9.5 t -154.5 53.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.037 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 21.2 p -89.83 32.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.4 m -81.77 61.27 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.59 . . . . 0.0 110.675 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 31.1 m -74.18 -51.05 4.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.171 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' B' ' 108' ' ' THR . 34.0 Cg_endo -63.56 117.24 4.21 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.073 1.849 . . . . 0.0 112.463 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.76 69.93 0.48 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.232 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -77.53 -7.73 56.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 110.97 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -132.4 146.76 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.252 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 9.8 p -99.19 112.25 24.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.66 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -97.01 139.3 33.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.48 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -96.28 147.23 24.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.567 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -96.29 83.64 3.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.642 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.14 -32.03 13.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.246 -179.4 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -146.23 -58.87 0.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.301 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -168.62 -69.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.024 0.44 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -119.06 2.04 11.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.456 0.646 . . . . 0.0 110.51 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.512 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 98.8 m -141.9 132.0 24.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.995 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.91 95.35 10.61 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.2 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 5' ' ' THR . 6.6 Cg_exo -73.14 154.19 52.03 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.796 2.331 . . . . 0.0 111.842 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -101.67 -1.87 31.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.513 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.56 128.05 31.12 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.079 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.78 126.3 21.34 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.584 2.189 . . . . 0.0 111.435 174.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.33 175.25 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.138 2.558 . . . . 0.0 112.631 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -44.17 114.91 2.02 Favored Pre-proline 0 N--CA 1.47 0.538 0 O-C-N 123.755 0.659 . . . . 0.0 112.348 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.28 115.7 4.0 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.882 2.388 . . . . 0.0 111.52 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -105.02 137.82 42.17 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 m -97.74 143.2 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 121.303 0.573 . . . . 0.0 111.461 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -124.9 168.08 13.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.656 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 54.45 75.32 0.29 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.155 0.909 . . . . 0.0 111.886 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 HG21 ' O ' ' B' ' 103' ' ' THR . 54.2 t -85.66 123.32 39.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -96.92 -160.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.52 -49.5 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.61 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 0.8 OUTLIER -146.04 37.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.75 -179.16 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 13.7 p -153.8 153.36 32.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 0.0 111.253 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.7 pt -135.74 166.73 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.879 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.0 105.21 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -90.04 124.16 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.072 0.463 . . . . 0.0 110.115 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -122.77 130.04 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.576 -173.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 9.4 p90 -109.68 145.94 35.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.177 0.513 . . . . 0.0 110.609 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -80.96 158.98 25.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.171 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -85.39 129.14 56.53 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.605 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--O 1.245 0.874 0 C-N-CA 122.598 2.199 . . . . 0.0 111.816 176.367 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.533 0.206 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -110.69 111.34 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.37 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.45 -91.56 1.45 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.0 t -93.01 84.19 4.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -82.33 -48.96 10.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.2 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.24 112.62 14.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.989 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.98 150.69 10.98 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.658 2.239 . . . . 0.0 111.956 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.28 113.58 63.19 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.29 -58.16 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.81 2.34 . . . . 0.0 112.516 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -65.09 -63.99 0.97 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 45.23 76.13 0.1 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.667 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.522 HG23 ' CE2' ' B' ' 45' ' ' TYR . 3.5 mp -68.2 116.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 176.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -80.55 -32.41 36.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.633 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -161.49 150.87 16.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.522 ' CE2' HG23 ' B' ' 42' ' ' ILE . 35.7 m-85 -110.96 125.33 53.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.447 HD11 ' N ' ' B' ' 46' ' ' ILE . 3.4 mp -99.18 118.17 45.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' B' ' 85' ' ' LEU . 0.4 OUTLIER -101.86 114.56 28.75 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.8 mtt180 -115.8 132.06 56.75 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 29.0 p90 -134.72 147.48 50.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.13 0.49 . . . . 0.0 110.922 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -147.71 138.9 13.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.874 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.29 117.28 3.75 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.474 2.116 . . . . 0.0 111.065 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.561 ' HD3' ' CG ' ' B' ' 82' ' ' GLU . 55.4 tptt -60.92 -28.07 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.498 -171.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -83.46 -6.6 59.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 110.782 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -122.25 140.53 52.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.085 0.469 . . . . 0.0 111.629 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.6 31.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.118 0.961 . . . . 0.0 109.744 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.76 -170.09 24.7 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.917 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -76.34 143.27 40.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 0.0 110.852 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -78.43 133.86 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.023 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 26.7 mtpp -90.26 129.12 36.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.468 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 24.6 mt-10 -114.38 133.53 55.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.015 0.436 . . . . 0.0 111.732 -171.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.651 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 27.9 m -118.67 120.9 38.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.092 0.472 . . . . 0.0 110.762 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.408 HD12 ' N ' ' B' ' 63' ' ' ILE . 4.5 mp -110.11 131.36 22.03 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.95 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.59 140.6 36.02 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.824 2.349 . . . . 0.0 111.929 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.516 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.42 47.5 1.73 Allowed Glycine 0 CA--C 1.519 0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.895 -173.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -157.39 19.0 0.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 110.192 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 75.1 mt -117.39 151.47 36.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.579 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 80.7 m-20 -121.39 15.01 11.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 -176.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 12.6 p -156.61 143.13 18.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.687 0.28 . . . . 0.0 111.19 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -138.61 142.66 39.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.818 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.5 m -95.76 99.66 11.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.248 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' SER . 66.0 mt -79.89 120.83 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.101 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -109.99 132.52 54.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.157 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.98 20.79 5.54 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.515 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 21' ' ' THR . 52.3 mt -105.01 141.48 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.892 0.346 . . . . 0.0 110.861 177.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -101.18 121.26 52.58 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.71 118.3 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.78 2.32 . . . . 0.0 111.682 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.63 -24.83 10.05 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.81 133.61 32.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.477 HG12 ' HB3' ' B' ' 52' ' ' LYS . 3.2 p -82.33 130.19 36.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 111.089 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -125.65 152.52 45.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.963 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.561 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 39.1 mt-10 -102.26 137.17 40.86 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.63 144.21 15.82 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.769 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' B' ' 48' ' ' ARG . 10.4 pt20 -137.1 132.42 34.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.871 0.367 . . . . 0.0 110.473 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' B' ' 47' ' ' LEU . 3.1 tm? -107.38 107.59 18.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.265 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.452 HG22 HG21 ' B' ' 96' ' ' VAL . 3.8 mp -100.48 115.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.84 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.1 m -97.23 127.43 43.19 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.663 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 50.9 mm -100.8 112.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.042 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -86.05 -179.7 6.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.55 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.73 -41.71 91.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.547 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.71 8.63 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.512 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.3 7.17 86.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.982 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -66.57 120.47 13.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -99.01 119.4 37.72 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -111.51 114.57 27.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.595 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.452 HG21 HG22 ' B' ' 86' ' ' ILE . 36.7 t -107.6 107.65 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.023 0.44 . . . . 0.0 110.66 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.9 m -102.51 117.97 35.86 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -94.34 152.14 18.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.146 0.498 . . . . 0.0 111.64 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -151.94 168.7 24.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.369 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.98 153.22 49.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' B' ' 80' ' ' VAL . 61.4 t80 -128.8 140.28 51.79 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.2 m -131.03 -59.9 0.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.436 ' O ' HG21 ' A' ' 18' ' ' VAL . 28.7 m -153.04 -67.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.244 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 41.0 m -160.28 86.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -91.77 52.19 1.98 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.03 0.443 . . . . 0.0 111.127 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 23.5 m -141.63 85.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.031 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -72.67 84.42 1.17 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.278 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 22.6 p -68.8 123.74 88.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.797 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.5 132.74 36.85 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.39 2.06 . . . . 0.0 111.609 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.75 69.2 2.42 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.281 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -146.91 106.46 3.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.035 0.445 . . . . 0.0 110.029 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -80.25 61.91 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.564 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.4 t -155.37 54.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.888 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -88.83 73.91 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.239 0.543 . . . . 0.0 111.326 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -117.37 89.46 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.579 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 m80 59.15 40.19 22.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.339 -174.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -120.48 76.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.322 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -107.9 96.23 6.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.04 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.225 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -77.21 120.52 22.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.697 0.284 . . . . 0.0 110.866 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.35 72.76 8.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.941 0.401 . . . . 0.0 109.927 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.2 m -93.27 -40.27 10.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -79.01 75.13 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.61 114.65 51.46 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.93 106.91 2.01 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.527 2.151 . . . . 0.0 112.735 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.584 ' HB2' ' OE2' ' B' ' 95' ' ' GLU . 11.9 m-20 -87.21 -23.42 24.77 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.32 129.16 34.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.462 174.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.49 130.17 21.21 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.237 2.624 . . . . 0.0 112.474 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.2 -66.9 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.767 2.978 . . . . 0.0 114.231 -173.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -152.79 116.78 2.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.97 115.69 3.75 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.286 1.991 . . . . 0.0 111.122 175.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.8 p -98.97 135.12 40.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG11 ' HB ' ' A' ' 23' ' ' ILE . 60.0 t -108.26 115.76 49.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -94.26 120.66 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 172.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.595 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -97.42 79.35 2.76 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.682 0.753 . . . . 0.0 110.295 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -99.9 9.42 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.473 -177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.54 -174.63 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.45 -54.17 5.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.887 0.375 . . . . 0.0 110.504 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.119 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -130.13 141.33 50.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.152 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' B' ' 71' ' ' THR . 14.7 pt -126.81 166.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.582 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.06 105.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.75 120.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.931 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -115.17 149.25 37.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.42 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.562 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 12.5 p90 -135.58 124.38 23.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.152 0.501 . . . . 0.0 110.721 178.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.1 t -64.1 143.04 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.257 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.75 129.9 94.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.547 2.831 . . . . 0.0 112.352 175.724 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 63.86 50.32 2.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.664 0.745 . . . . 0.0 109.79 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.61 176.25 21.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.579 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.8 t -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.194 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -145.15 140.24 27.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.4 100.15 9.45 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.24 105.88 0.93 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.616 2.211 . . . . 0.0 112.058 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' HD2' ' B' ' 39' ' ' PRO . 5.8 tp-100 -84.51 122.03 75.03 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.801 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.475 ' HD2' ' OE1' ' B' ' 38' ' ' GLN . 52.4 Cg_exo -55.6 103.24 0.1 Allowed 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 111.183 174.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.5 p -166.29 -163.06 0.57 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.861 -174.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 59.29 67.7 0.88 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.268 0.556 . . . . 0.0 110.077 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.421 ' O ' ' HA3' ' B' ' 65' ' ' GLY . 2.6 mp -68.57 124.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.727 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.6 t -75.87 -34.59 60.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.466 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -162.92 147.84 11.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.11 125.17 52.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.456 HG23 ' HG3' ' B' ' 48' ' ' ARG . 3.4 mp -102.48 119.1 50.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.741 0.305 . . . . 0.0 110.383 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.491 HD13 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -100.56 111.55 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.043 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.456 ' HG3' HG23 ' B' ' 46' ' ' ILE . 22.1 mtm180 -124.08 119.01 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.491 ' CE3' HD13 ' B' ' 47' ' ' LEU . 18.9 p90 -128.38 145.87 50.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.256 0.55 . . . . 0.0 111.125 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -139.59 116.83 8.47 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.18 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.47 136.27 73.05 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.21 1.94 . . . . 0.0 111.25 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -62.68 -26.47 68.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.158 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.6 -16.62 60.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.277 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 48.7 m -81.95 147.23 29.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p -74.26 -38.88 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.136 -170.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.93 -37.0 0.02 OUTLIER Glycine 0 C--N 1.332 0.358 0 C-N-CA 118.765 -1.683 . . . . 0.0 115.272 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.64 127.35 31.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -92.97 142.75 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.355 174.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 60.3 mttp -97.45 130.91 44.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -128.63 129.53 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.617 -170.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.34 134.9 44.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.553 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 124.94 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 4.8 mp -112.36 129.1 24.67 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.719 178.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.31 137.92 38.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.612 2.208 . . . . 0.0 111.669 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' B' ' 42' ' ' ILE . . . -61.44 -15.95 47.95 Favored Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.934 -0.575 . . . . 0.0 114.258 -172.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -84.14 -3.63 58.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.49 0.645 . . . . 0.0 111.459 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.471 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 64.7 mt -103.07 142.26 34.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.562 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 14.1 m120 -127.4 28.42 5.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.155 0.503 . . . . 0.0 110.908 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 53.1 p -161.32 140.33 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.169 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' B' ' 63' ' ' ILE . 61.9 t80 -137.51 136.56 37.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.888 0.375 . . . . 0.0 110.387 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 24.6 m -89.71 100.64 13.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.291 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 23' ' ' ILE . 54.4 mt -81.02 117.23 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -109.5 131.16 55.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.27 28.5 4.62 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.863 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.79 174.27 8.48 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -127.74 122.63 22.59 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.82 125.13 13.73 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.444 2.096 . . . . 0.0 111.914 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.3 0.96 69.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.374 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.1 t -109.01 117.53 54.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.84 138.58 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.041 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' B' ' 101' ' ' PHE . 18.7 p90 -130.49 162.77 28.47 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.707 174.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 38.3 mt-10 -101.57 111.09 23.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.84 132.38 11.07 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.235 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.43 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 46.0 mt-30 -121.66 121.87 38.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.54 0.21 . . . . 0.0 110.509 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -105.95 102.15 11.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.448 HG22 HG23 ' B' ' 96' ' ' VAL . 3.3 mp -94.95 117.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -97.96 119.87 37.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.762 0.315 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.2 105.71 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -76.39 158.65 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.508 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -68.87 -10.87 59.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.726 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -86.16 -4.6 59.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.503 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.23 -2.21 85.05 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.65 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -69.35 120.24 14.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -117.64 126.02 51.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 8' ' ' ASP . 9.5 mt-10 -135.0 139.8 45.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.448 HG23 HG22 ' B' ' 86' ' ' ILE . 41.1 t -109.61 111.8 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.996 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -92.56 109.26 20.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.696 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.43 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 62.9 mtm180 -96.12 139.96 31.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.974 0.416 . . . . 0.0 110.886 -175.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -144.3 170.49 15.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.815 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -136.45 157.74 46.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.594 ' HB3' ' CE1' ' B' ' 81' ' ' TYR . 66.1 t80 -144.57 146.17 32.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.805 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 9.3 t -167.89 175.64 6.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 2.5 m -120.96 7.84 10.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.612 0.72 . . . . 0.0 109.575 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 4.5 p -82.83 65.81 8.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.845 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 21.0 t -125.44 54.77 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.691 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 27.0 m -85.1 -47.1 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.617 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.0 t -82.02 -37.8 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.035 0.445 . . . . 0.0 109.991 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 27.0 p -76.29 128.98 81.4 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.35 112.7 1.5 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.644 2.229 . . . . 0.0 112.191 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.1 15.71 8.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.33 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 13.5 p -81.26 1.0 34.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 111.346 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -84.53 13.87 5.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.336 0.589 . . . . 0.0 110.231 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.9 p -84.12 52.43 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -125.66 44.59 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.782 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.62 33.52 3.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.209 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -103.36 -21.98 13.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -110.24 118.69 37.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.944 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -85.76 -21.34 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.327 0.584 . . . . 0.0 109.533 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 38.1 m80 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.566 174.02 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -135.46 -19.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 111.324 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.62 -24.59 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.388 -176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 p -85.92 39.62 0.82 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -74.83 -71.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.957 0.408 . . . . 0.0 110.474 177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.37 79.01 73.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.953 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 142.49 64.94 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.951 2.434 . . . . 0.0 112.605 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' HB2' ' NE2' ' B' ' 89' ' ' GLN . 1.0 OUTLIER -89.14 54.27 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.349 0.595 . . . . 0.0 110.416 179.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.37 119.65 65.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.408 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -53.27 134.91 58.7 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.003 2.469 . . . . 0.0 111.787 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.32 -36.27 88.14 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.291 2.661 . . . . 0.0 113.098 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -170.41 114.86 0.47 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.789 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' B' ' 99' ' ' PHE . 17.2 Cg_exo -69.14 116.05 4.3 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.537 2.158 . . . . 0.0 110.966 171.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -100.29 134.24 43.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.583 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' B' ' 101' ' ' PHE . 74.7 t -98.15 114.6 36.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.056 0.455 . . . . 0.0 109.886 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -122.95 155.68 36.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.214 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 50.33 74.17 0.23 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.554 0.534 . . . . 0.0 112.148 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -83.86 136.48 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.596 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -107.68 -169.11 1.47 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.65 -37.13 84.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.648 0.261 . . . . 0.0 110.489 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 75' ' ' LEU . 2.1 p -141.12 28.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -159.26 158.07 31.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.346 -0.221 . . . . 0.0 111.208 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HD12 HD13 ' B' ' 72' ' ' ILE . 17.8 pt -140.82 166.31 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.413 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.94 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -94.45 122.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.274 0.559 . . . . 0.0 109.732 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -124.3 138.87 54.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.208 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 20.3 p90 -124.99 124.65 42.46 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.297 0.57 . . . . 0.0 110.505 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -69.42 137.05 52.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.591 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -67.07 131.59 93.72 Favored Pre-proline 0 C--N 1.323 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.599 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 C--O 1.246 0.88 0 C-N-CA 122.745 2.296 . . . . 0.0 111.948 178.236 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.734 0.302 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -168.77 62.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.512 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.34 -78.65 1.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -90.32 134.7 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -87.43 59.69 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.833 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 105.26 23.18 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.916 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -75.84 65.36 6.79 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.533 2.155 . . . . 0.0 111.587 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.521 ' HB2' HE22 ' B' ' 90' ' ' GLN . 12.9 mm100 -65.54 133.9 95.36 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.513 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -68.74 156.65 64.76 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.037 2.491 . . . . 0.0 112.86 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.508 ' HB3' ' OE1' ' B' ' 89' ' ' GLN . 40.6 m -76.6 62.65 1.97 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.691 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.65 147.1 27.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.609 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.437 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 2.9 mp -80.22 123.66 37.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.68 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.8 m -78.5 -36.77 44.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.816 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -162.66 147.11 11.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.968 0.414 . . . . 0.0 111.123 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.76 138.28 40.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.587 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.47 HG23 ' HG3' ' B' ' 48' ' ' ARG . 2.4 mp -113.18 117.3 55.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 110.215 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.455 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -97.7 119.16 35.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.681 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mtm180 -123.93 128.11 48.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.455 ' CE3' HD12 ' B' ' 47' ' ' LEU . 22.8 p90 -142.59 158.55 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.822 0.344 . . . . 0.0 111.17 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -157.88 150.87 18.4 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.61 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.6 137.53 80.69 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.582 2.188 . . . . 0.0 111.396 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.536 ' HB2' HG22 ' B' ' 80' ' ' VAL . 5.6 tmtp? -65.86 -25.81 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -77.09 -10.37 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.086 0.469 . . . . 0.0 110.515 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -109.32 153.17 24.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.611 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.433 ' O ' HG23 ' B' ' 55' ' ' VAL . 11.7 p -129.84 28.81 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 122.131 0.967 . . . . 0.0 109.547 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.74 -134.76 8.24 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.165 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -78.88 147.04 33.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 111.991 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.425 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 35.5 m95 -92.13 131.79 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.271 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 89.2 mttt -68.69 144.47 54.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.58 124.22 51.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 111.59 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.09 128.05 44.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.909 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -101.66 124.24 46.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.979 0.419 . . . . 0.0 111.058 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.457 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.5 mp -110.35 131.86 21.81 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.14 137.63 37.26 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.443 2.096 . . . . 0.0 111.732 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.88 7.67 4.03 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 114.09 -172.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -109.71 14.5 23.29 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.52 -0.4 . . . . 0.0 110.578 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 53.1 mt -119.87 167.95 11.61 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.1 p-10 -141.04 26.95 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.958 176.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -153.86 145.76 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . 0.457 ' HB2' HG12 ' B' ' 63' ' ' ILE . 75.6 t80 -139.5 141.63 37.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.9 m -100.49 101.79 12.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.682 0.277 . . . . 0.0 110.374 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.426 HD13 HD12 ' A' ' 23' ' ' ILE . 44.2 mt -80.61 116.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -113.07 134.06 54.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.99 24.36 4.9 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.125 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 21' ' ' THR . 93.6 mt -93.17 148.38 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -95.6 129.97 33.19 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 120.802 0.334 . . . . 0.0 111.245 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.57 119.32 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.54 41.53 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.036 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.04 135.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.886 0.374 . . . . 0.0 110.644 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' B' ' 52' ' ' LYS . 22.6 m -94.53 144.48 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.01 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -128.39 156.87 42.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.053 0.454 . . . . 0.0 111.799 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.412 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 46.7 mm-40 -104.23 144.71 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -136.28 149.44 20.11 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.153 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -135.13 127.12 29.63 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 122.63 0.372 . . . . 0.0 110.293 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.24 110.95 22.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.456 HG23 HG23 ' B' ' 96' ' ' VAL . 4.1 mp -108.77 120.44 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.505 -178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' B' ' 94' ' ' GLN . 11.0 p -95.32 125.64 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.854 0.359 . . . . 0.0 110.632 177.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 39.9 mm -105.95 111.55 35.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.911 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.508 ' OE1' ' HB3' ' B' ' 40' ' ' SER . 76.4 mt-30 -90.78 -179.74 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.167 0.508 . . . . 0.0 112.257 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . 0.521 HE22 ' HB2' ' B' ' 38' ' ' GLN . 30.4 tt0 -55.47 -45.39 76.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.861 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.6 13.49 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.25 19.03 79.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.319 -0.943 . . . . 0.0 110.972 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.69 120.13 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' B' ' 87' ' ' SER . 43.3 mt-30 -116.73 120.34 38.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.788 0.328 . . . . 0.0 111.209 -174.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.472 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 2.1 mp0 -111.24 114.61 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.642 172.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.456 HG23 HG23 ' B' ' 86' ' ' ILE . 61.1 t -99.72 106.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.901 0.381 . . . . 0.0 110.321 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 17.8 m -96.04 109.91 22.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.72 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -92.63 137.27 32.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.388 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.425 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 34.4 p90 -152.1 -177.35 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.21 159.54 42.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.446 ' CB ' HG21 ' A' ' 15' ' ' VAL . 40.7 p90 -154.59 149.3 26.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.021 0.438 . . . . 0.0 110.902 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.4 ' HB ' HG12 ' B' ' 80' ' ' VAL . 5.7 t -128.19 135.4 49.67 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 15.2 m -99.47 72.18 1.79 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 2.1 m -80.85 44.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.609 0.719 . . . . 0.0 110.995 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 23.8 m -85.53 71.0 10.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.142 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 30.6 p -80.54 68.78 6.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.983 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.0 t -103.55 7.9 37.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 109.686 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.468 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 17.9 m -54.11 -51.74 74.7 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.791 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' B' ' 108' ' ' THR . 34.4 Cg_endo -65.56 2.29 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.381 2.054 . . . . 0.0 113.328 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.53 -21.65 74.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.138 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.6 t -112.14 22.64 14.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.561 0.696 . . . . 0.0 109.834 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -77.27 -60.81 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.272 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 17.0 m -92.52 126.2 37.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.599 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -95.32 5.2 52.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.931 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -66.1 -40.74 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.587 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -80.66 118.41 22.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -156.73 143.16 18.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.44 -176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -132.93 159.11 40.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.795 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.535 176.747 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -136.99 122.71 19.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.86 0.362 . . . . 0.0 110.812 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.76 86.99 7.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.8 m -62.82 -39.19 93.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.833 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -108.78 138.21 45.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.79 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.74 149.74 19.43 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.656 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.56 60.04 2.69 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.772 2.315 . . . . 0.0 112.351 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -100.93 -30.34 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.574 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.62 131.24 23.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.54 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.33 128.14 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.634 2.223 . . . . 0.0 111.7 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' ' 28' ' ' SER . 51.1 Cg_exo -54.87 162.83 4.64 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.807 2.338 . . . . 0.0 111.782 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -54.85 120.7 30.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.211 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.12 148.87 85.8 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.989 2.459 . . . . 0.0 112.438 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 p -99.72 131.78 45.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.1 t -94.72 121.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -97.46 179.94 4.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 111.252 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' HB3' ' HB ' ' B' ' 104' ' ' THR . 15.0 pt20 -130.53 72.01 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.627 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -80.85 -52.58 13.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.58 -174.3 2.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -82.22 -37.57 25.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.734 -0.386 . . . . 0.0 109.966 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -125.93 22.11 7.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.595 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 m -138.18 132.39 31.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' B' ' 71' ' ' THR . 10.8 pt -116.04 168.39 7.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.501 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 106.84 20.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -89.97 116.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.697 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' HG2' ' HB3' ' B' ' 69' ' ' SER . 47.4 mtm105 -110.24 125.88 53.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.99 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -119.28 151.4 38.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.491 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 67.1 m -96.74 111.94 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.461 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 7.0 ppt_? -87.43 152.43 52.28 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.58 -178.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo . . . . . 0 C--O 1.254 1.314 0 C-N-CA 123.63 2.887 . . . . 0.0 113.094 175.383 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' MET . . . . . 0.431 ' SD ' ' HB2' ' B' ' 35' ' ' ASN . 20.1 ptt? . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -94.94 80.99 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.902 -173.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.45 38.01 95.06 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.568 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.8 t -114.67 -5.94 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.93 0.395 . . . . 0.0 110.307 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.431 ' HB2' ' SD ' ' B' ' 31' ' ' MET . 44.0 t30 -71.24 -65.76 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 0.0 110.247 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.51 133.03 21.58 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.26 77.78 2.0 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.731 2.287 . . . . 0.0 111.987 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.52 138.14 92.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.164 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.437 ' HA ' ' CE2' ' B' ' 91' ' ' TYR . 59.8 Cg_endo -73.25 66.14 4.36 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.998 2.466 . . . . 0.0 112.787 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -146.99 44.82 1.17 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.418 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -142.91 101.32 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.483 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.489 HD11 ' N ' ' B' ' 42' ' ' ILE . 3.6 mp -91.6 137.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.056 -175.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -86.14 -33.06 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.46 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -166.5 145.51 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.587 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.424 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 38.0 m-85 -108.2 123.57 48.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -100.83 119.46 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.005 0.431 . . . . 0.0 110.219 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.75 114.61 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.21 130.76 54.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.44 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.9 p90 -134.15 138.0 44.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 111.039 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' B' ' 57' ' ' ARG . 62.1 ttp180 -123.84 123.56 26.2 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.19 139.3 54.8 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.226 1.95 . . . . 0.0 110.241 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -64.32 -18.93 65.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.509 0.195 . . . . 0.0 111.475 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -78.76 -8.61 58.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -105.91 126.28 52.0 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.37 -35.48 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.18 17.8 1.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.68 -1.248 . . . . 0.0 114.022 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' B' ' 50' ' ' ARG . 36.0 mmt180 -107.47 110.86 22.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.53 0.681 . . . . 0.0 112.047 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -95.78 135.99 36.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.115 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -97.51 129.12 44.7 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -121.97 137.53 54.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 112.118 -168.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.46 138.92 46.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.092 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 40.6 m -104.81 122.38 45.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mp -109.71 126.28 29.46 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.87 144.45 20.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.336 2.691 . . . . 0.0 112.618 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.424 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -76.95 46.9 2.47 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.963 -0.562 . . . . 0.0 114.346 -171.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -151.85 17.91 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 mt -118.88 148.64 42.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.683 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -124.62 12.16 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 110.688 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.455 ' HB3' ' HG2' ' A' ' 26' ' ' ARG . 31.2 p -150.3 141.63 23.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -139.06 142.99 38.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.115 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 31.1 m -96.31 101.3 12.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.882 0.372 . . . . 0.0 110.555 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 36.6 mt -84.58 124.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -106.65 150.44 26.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.041 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.86 21.02 37.69 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 101' ' ' PHE . 20.6 mt -97.33 121.92 39.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -101.96 122.35 47.5 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.33 118.22 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.265 1.977 . . . . 0.0 111.181 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.03 -20.72 14.09 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.15 136.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -87.12 126.96 40.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.127 0.489 . . . . 0.0 111.228 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.44 137.41 54.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.275 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 38.7 mt-10 -104.46 123.83 48.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.79 149.25 16.94 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.044 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.46 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 77.8 mt-30 -138.78 130.64 27.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.751 0.31 . . . . 0.0 110.637 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -106.87 116.03 31.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 3.7 mp -107.67 113.5 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.6 p -91.37 108.58 19.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 20.6 mm -91.87 102.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 44.1 mt-30 -80.49 158.37 25.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.005 0.431 . . . . 0.0 110.579 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -67.77 -6.17 19.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.476 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.437 ' CE2' ' HA ' ' B' ' 39' ' ' PRO . 4.5 m-85 -106.45 17.9 22.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.71 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.12 5.08 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.732 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . 0.423 ' HB2' ' HB2' ' B' ' 89' ' ' GLN . 3.5 m170 -72.88 119.94 17.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -124.8 121.3 34.18 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 64.0 mm-40 -121.21 130.18 53.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.259 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.455 HG23 HG23 ' B' ' 86' ' ' ILE . 47.1 t -107.89 112.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.226 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -102.4 114.4 28.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 88.3 mtm180 -92.06 129.38 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.855 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -135.02 176.25 8.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.669 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -135.45 154.8 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 75' ' ' LEU . 59.6 t80 -134.95 145.69 48.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 24.1 m -144.14 -52.17 0.32 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.213 0.53 . . . . 0.0 109.603 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.7 t -164.97 132.56 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.311 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 17' ' ' GLN . 3.6 m -82.58 -5.61 58.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.28 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 26.9 p -65.22 -42.08 93.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.428 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.4 p -96.81 2.36 51.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.0 m -69.01 -66.88 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.66 0.266 . . . . 0.0 111.263 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.2 m -107.82 118.46 52.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.608 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.1 71.36 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.946 2.431 . . . . 0.0 112.4 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.21 -89.97 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -74.47 -34.0 63.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -86.8 133.34 33.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.352 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t 63.97 63.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.511 0.672 . . . . 0.0 109.972 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.63 7.71 28.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.383 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -85.3 60.13 6.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -116.01 -15.67 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.66 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -85.65 126.89 34.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.178 0.513 . . . . 0.0 110.793 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -103.41 161.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.229 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.998 178.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.884 -0.487 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -74.36 -31.04 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.674 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -73.4 144.77 46.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.217 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -144.96 172.04 13.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.929 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p 58.8 177.65 0.07 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.128 0.971 . . . . 0.0 112.491 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.67 83.1 0.23 Allowed Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.461 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.99 90.81 0.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.718 2.279 . . . . 0.0 111.851 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' HB2' ' OE1' ' B' ' 89' ' ' GLN . 6.7 p-10 -76.98 -23.36 52.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.183 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.67 118.53 67.46 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -58.07 131.46 43.59 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.009 2.473 . . . . 0.0 111.721 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' HG ' ' A' ' 28' ' ' SER . 25.4 Cg_exo -64.79 -174.67 0.31 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.035 2.49 . . . . 0.0 112.599 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.64 120.4 31.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.731 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.86 143.35 60.69 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.541 2.161 . . . . 0.0 111.28 174.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 m -107.12 134.43 50.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.967 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' B' ' 101' ' ' PHE . 48.3 t -108.87 117.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -109.1 129.18 55.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.826 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 111.9 21.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.872 0.367 . . . . 0.0 110.168 -177.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -94.76 -22.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -138.5 -175.32 4.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.433 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.36 -40.2 27.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 18.5 p -108.38 13.72 25.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.24 -175.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 16.3 m -147.24 134.93 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 111.265 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' B' ' 71' ' ' THR . 19.3 pt -124.13 164.61 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.535 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.88 105.41 18.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -92.11 115.41 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.265 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -114.55 140.69 48.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.015 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.431 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 27.2 p90 -133.86 136.09 44.13 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.454 ' HG ' ' HD2' ' A' ' 11' ' ' PRO . 30.5 p -76.1 111.61 11.68 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.84 0.353 . . . . 0.0 110.822 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.41 125.61 71.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.412 178.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 14.2 Cg_endo . . . . . 0 C--O 1.246 0.886 0 C-N-CA 123.883 3.056 . . . . 0.0 112.543 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 42.5 tpp . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.684 0.278 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -122.49 110.31 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.02 -115.07 0.31 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.4 p -80.52 -30.17 37.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.327 0.584 . . . . 0.0 109.925 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -81.46 106.06 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.306 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.31 101.89 22.06 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.684 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.69 117.38 4.09 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.976 2.45 . . . . 0.0 112.738 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' B' ' 41' ' ' HIS . 11.4 pt20 -100.22 135.85 20.21 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.5 -11.04 30.75 Favored 'Trans proline' 0 CA--C 1.526 0.101 0 C-N-CA 122.399 2.066 . . . . 0.0 112.586 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -74.89 71.2 2.01 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.673 -176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.491 ' HD2' ' O ' ' B' ' 38' ' ' GLN . 66.9 m-70 -132.94 85.87 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.369 . . . . 0.0 110.149 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.58 HG21 ' CE2' ' B' ' 45' ' ' TYR . 3.0 mp -76.56 135.49 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.487 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.6 m -97.8 -34.67 10.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -163.22 151.78 14.12 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.587 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 22.1 m-85 -111.7 134.3 53.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.6 mp -108.02 109.9 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.423 HD11 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -96.63 116.36 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mtm180 -123.69 126.96 47.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.241 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.453 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 29.3 p90 -128.58 142.9 50.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 0.0 111.012 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -133.8 130.38 20.63 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.117 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -67.39 130.66 22.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.251 1.967 . . . . 0.0 110.998 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -64.16 -23.9 67.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.091 0.472 . . . . 0.0 111.176 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.92 -16.87 57.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -101.54 156.01 17.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -125.48 17.56 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.923 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.17 -124.6 4.02 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.89 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -104.58 169.25 8.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.219 0.533 . . . . 0.0 111.599 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -91.67 136.66 32.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.147 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 43.1 mtpt -81.97 140.76 33.81 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.84 132.75 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -167.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 132.3 41.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.97 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.3 m -104.89 122.39 45.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 0.0 110.626 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.8 mp -110.72 134.23 20.98 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.137 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.58 139.01 86.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.644 2.23 . . . . 0.0 111.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -64.26 -9.56 36.73 Favored Glycine 0 C--N 1.335 0.491 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.509 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -75.33 -18.95 59.89 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.743 0.417 . . . . 0.0 111.081 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 40.1 mt -97.83 175.39 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.722 0.296 . . . . 0.0 110.761 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 29.7 p-10 -147.52 19.09 1.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -164.44 153.96 13.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -143.24 143.39 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.225 176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 18.2 m -98.07 100.53 11.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.26 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' SER . 49.1 mt -79.04 107.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.833 0.349 . . . . 0.0 110.194 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -100.47 121.73 42.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.983 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.55 31.94 1.0 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.423 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 21' ' ' THR . 76.3 mt -103.68 122.06 44.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.908 0.385 . . . . 0.0 110.081 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.478 ' N ' ' HH ' ' B' ' 81' ' ' TYR . 65.3 mttm -70.84 131.77 87.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.207 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.471 ' HA ' HG23 ' B' ' 103' ' ' THR . 16.5 Cg_exo -69.13 132.11 23.62 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.774 2.316 . . . . 0.0 111.693 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.83 10.86 58.46 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.76 140.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.48 140.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . 0.478 ' HH ' ' N ' ' B' ' 76' ' ' LYS . 54.8 m-85 -127.1 151.09 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.017 0.437 . . . . 0.0 111.483 -177.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 46.8 mt-10 -103.62 138.18 40.65 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.78 140.53 11.9 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.175 -1.012 . . . . 0.0 112.863 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -125.73 120.43 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -100.77 103.61 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.479 HG22 HG21 ' B' ' 96' ' ' VAL . 7.5 mt -102.98 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.44 -178.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 37.6 m -92.01 120.54 32.75 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.3 mm -94.0 109.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.411 ' OE1' ' HB2' ' A' ' 8' ' ' ASP . 49.3 mt-30 -96.23 162.0 13.71 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -47.58 -45.2 27.05 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.742 0.651 . . . . 0.0 111.942 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -81.06 8.52 8.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.772 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.97 3.33 85.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.506 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.62 120.07 15.71 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -104.35 119.74 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -114.41 114.73 26.25 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.399 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.479 HG21 HG22 ' B' ' 86' ' ' ILE . 25.9 t -101.0 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.053 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 31.6 m -102.21 111.38 23.64 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -84.3 148.28 26.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.351 0.596 . . . . 0.0 111.379 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -146.03 168.4 20.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.45 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.04 150.16 43.44 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.468 ' CD1' HG13 ' A' ' 15' ' ' VAL . 37.9 t80 -128.52 135.48 49.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.397 0.618 . . . . 0.0 110.904 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -134.52 140.62 46.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.171 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.471 HG23 ' HA ' ' B' ' 77' ' ' PRO . 36.1 p -79.98 -10.2 59.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -164.36 131.42 3.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.965 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 67.1 m -125.55 18.02 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -143.52 16.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.23 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 31.7 t -70.66 -50.65 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.547 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 23.8 m -111.03 105.75 57.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.765 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.61 64.03 6.54 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.873 2.382 . . . . 0.0 112.764 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.63 -30.75 55.87 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.663 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -149.21 148.72 29.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -87.37 -3.52 59.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.338 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 23.2 m -76.44 147.57 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.221 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 58.85 53.38 5.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.146 0.498 . . . . 0.0 111.221 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -108.32 18.77 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -62.75 -36.15 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -86.07 100.41 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.013 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 8.4 t60 66.56 91.59 0.08 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.946 0.779 . . . . 0.0 110.982 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.234 178.393 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m -78.57 114.0 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.789 0.294 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -80.52 66.83 6.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.107 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.3 m 59.31 76.44 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.753 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -63.05 -41.2 99.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.823 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.22 97.04 28.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.745 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.11 -74.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.882 2.388 . . . . 0.0 112.206 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -114.61 5.62 15.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.003 0.43 . . . . 0.0 110.3 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.19 132.2 84.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.181 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.19 121.65 10.29 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.696 2.264 . . . . 0.0 111.286 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -42.86 -66.8 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.842 3.028 . . . . 0.0 114.146 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -148.57 124.46 5.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.793 -177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 27' ' ' TRP . 5.9 Cg_exo -80.45 128.39 6.99 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 123.058 2.505 . . . . 0.0 111.384 171.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 m -100.36 139.27 36.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' B' ' 101' ' ' PHE . 72.0 t -108.12 111.91 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.508 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -116.97 157.43 25.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.8 mm-40 57.93 88.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.974 0.796 . . . . 0.0 111.722 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.13 -23.36 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 0.0 110.502 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 13.3 t70 52.2 -143.37 0.69 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.97 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' H ' ' CG ' ' A' ' 19' ' ' ASP . 18.4 t70 -82.85 -54.75 4.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.713 0.292 . . . . 0.0 110.428 175.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -150.59 34.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.555 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 p -150.57 137.15 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.362 -0.211 . . . . 0.0 110.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' HA ' ' O ' ' A' ' 17' ' ' GLN . 17.3 pt -116.6 161.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.926 0.393 . . . . 0.0 111.314 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.0 t -108.93 105.33 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 170.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.1 117.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.293 0.568 . . . . 0.0 110.025 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -118.84 125.21 49.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.327 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 19.2 p90 -107.47 129.21 54.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.269 0.557 . . . . 0.0 111.231 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -89.82 127.68 36.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.063 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.83 158.68 86.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.098 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 C--O 1.248 0.984 0 C-N-CA 123.145 2.563 . . . . 0.0 112.064 177.241 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.43 127.58 32.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.179 0.514 . . . . 0.0 110.551 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.97 68.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.576 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.6 t -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.234 0.54 . . . . 0.0 109.572 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -128.37 68.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.66 90.58 50.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.955 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.19 133.49 53.21 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.864 2.376 . . . . 0.0 111.917 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -102.57 110.92 64.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.81 121.53 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.389 2.06 . . . . 0.0 112.02 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t 60.11 47.55 9.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.711 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.85 129.92 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.369 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 2.7 mp -93.52 131.25 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 25.0 t -91.57 -31.03 16.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.518 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -163.36 145.21 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.909 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -103.92 131.82 50.77 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.404 HD13 ' N ' ' B' ' 46' ' ' ILE . 3.0 mp -109.59 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.72 113.26 24.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.448 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 82.4 mtt180 -113.49 132.28 55.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.082 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.417 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.0 p90 -139.34 141.89 37.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.186 0.517 . . . . 0.0 110.973 177.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -140.96 133.01 14.03 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.612 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -51.72 116.14 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.508 ' HD3' ' CG ' ' B' ' 82' ' ' GLU . 22.6 tptm -79.26 -34.09 42.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.684 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.427 ' HB2' ' H ' ' B' ' 80' ' ' VAL . 8.5 t30 -65.74 -23.8 66.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.852 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.5 m -121.79 -169.82 1.94 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.394 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.49 -47.09 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.67 164.29 9.49 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -119.29 141.12 49.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -69.14 114.5 7.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.728 0.299 . . . . 0.0 110.81 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -101.82 134.95 44.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 23.2 mt-10 -122.34 143.82 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.895 0.379 . . . . 0.0 111.425 -173.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.98 130.87 32.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 175.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.6 m -102.17 118.21 36.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.249 0.547 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 4.8 mp -110.29 131.51 21.99 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.292 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.63 146.24 15.58 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.815 2.343 . . . . 0.0 112.193 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.12 40.4 1.23 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.879 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -151.26 17.36 0.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.914 0.387 . . . . 0.0 110.259 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.46 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 52.6 mt -124.06 127.57 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.539 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 5.9 m-20 -114.79 40.43 2.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 45.6 t -164.18 133.48 3.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.247 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -140.62 147.76 39.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 21.8 m -106.46 101.91 11.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.411 HD12 HD13 ' A' ' 23' ' ' ILE . 45.7 mt -79.37 128.41 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -113.2 140.11 48.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.729 0.3 . . . . 0.0 110.567 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.84 21.14 12.58 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.786 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 mt -94.21 133.0 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -100.14 122.38 50.56 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.75 131.94 45.04 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.655 2.237 . . . . 0.0 111.82 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.36 -32.55 7.41 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -82.22 136.99 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.412 -0.394 . . . . 0.0 109.938 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.427 ' H ' ' HB2' ' B' ' 53' ' ' ASN . 15.9 t -87.76 142.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.8 143.34 50.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 111.586 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.508 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 52.3 mm-40 -104.0 109.23 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.441 173.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.77 141.07 16.67 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.079 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -131.81 134.85 46.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 110.375 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.34 104.89 16.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.451 HG21 HG21 ' B' ' 96' ' ' VAL . 4.3 mp -96.09 108.22 20.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 17.5 p -91.94 115.29 27.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.16 105.66 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.036 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 48.6 mt-30 -80.28 160.34 25.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.384 0.611 . . . . 0.0 111.15 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -61.78 -15.07 38.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.886 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.65 -2.02 54.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 0.0 110.256 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.12 -13.98 65.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.849 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -62.5 120.32 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 110.238 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -98.9 121.78 41.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.426 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 8.1 mm-40 -111.94 115.88 29.69 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.451 HG21 HG21 ' B' ' 86' ' ' ILE . 59.7 t -104.7 111.15 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.35 -175.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 31.6 m -101.9 112.55 25.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.447 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.49 142.87 31.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.57 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -136.89 146.68 45.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.109 0.481 . . . . 0.0 110.085 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -101.89 134.22 45.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.448 ' CD1' HG11 ' A' ' 15' ' ' VAL . 50.7 t80 -136.16 135.37 39.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 0.0 111.365 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -174.46 141.8 0.72 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.114 169.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -149.64 104.78 3.37 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 19.5 m -84.38 98.47 10.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -84.73 52.06 2.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 17.2 m -84.74 77.41 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.317 0.579 . . . . 0.0 109.527 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 21.9 t -86.78 -13.3 45.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.719 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 41.3 m -117.31 94.63 45.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.922 0.391 . . . . 0.0 111.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.92 -17.13 32.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.855 2.37 . . . . 0.0 111.575 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -66.24 -12.19 57.5 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.698 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.6 m -71.47 -18.62 62.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.111 0.481 . . . . 0.0 110.063 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -79.13 -46.9 17.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.685 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 7.2 m -65.39 140.6 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.924 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 50.0 m80 64.45 -134.64 0.29 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 62.5 31.04 17.22 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.445 0.465 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -96.51 3.76 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 109.883 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -140.16 45.47 1.87 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.974 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 67.36 -71.6 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.363 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 55.1 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.983 -178.665 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 5' ' ' THR . 20.3 m -86.69 16.06 5.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.122 0.487 . . . . 0.0 111.222 -177.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -78.66 -41.22 31.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.0 m -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 2' ' ' SER . 25.7 m -88.71 92.81 9.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.034 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.99 86.48 42.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.422 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.22 67.19 7.63 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.682 2.255 . . . . 0.0 110.537 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -87.95 53.79 2.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.546 -168.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.636 ' HB1' ' CG ' ' B' ' 95' ' ' GLU . . . -92.55 147.56 34.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.371 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.45 120.7 8.36 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.722 2.282 . . . . 0.0 110.739 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 28' ' ' SER . 53.3 Cg_exo -54.68 -40.03 86.33 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.602 2.868 . . . . 0.0 114.319 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.3 117.02 2.99 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.758 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' B' ' 99' ' ' PHE . 3.2 Cg_exo -83.92 114.67 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.92 2.413 . . . . 0.0 110.543 167.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -99.97 141.19 33.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG23 ' CB ' ' B' ' 101' ' ' PHE . 94.4 t -98.04 126.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 15.7 t70 -124.34 126.86 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.449 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 2.2 mp0 70.44 142.79 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.264 0.625 . . . . 0.0 111.764 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 23' ' ' ILE . 33.8 t -121.0 -22.44 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.747 174.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t70 53.22 -141.7 0.84 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.736 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.35 -54.4 5.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.907 0.384 . . . . 0.0 110.28 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -148.88 35.47 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.435 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 77.9 p -153.18 131.94 12.37 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.506 -175.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' B' ' 71' ' ' THR . 15.8 pt -115.41 161.22 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.658 0.266 . . . . 0.0 110.498 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -109.66 105.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 170.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -98.7 118.84 45.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.126 0.489 . . . . 0.0 110.257 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' HG2' ' HB3' ' B' ' 69' ' ' SER . 78.8 mtp180 -122.26 133.94 54.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.336 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.555 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 16.2 p90 -116.14 134.28 55.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.242 0.544 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.444 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 45.5 m -87.77 146.4 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.6 151.28 52.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 C--O 1.251 1.156 0 C-N-CA 122.761 2.307 . . . . 0.0 112.057 177.645 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.896 0.379 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -85.37 63.62 8.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.222 0.534 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 27.79 4.8 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.334 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -80.18 -58.47 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -102.37 123.7 46.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.044 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.93 73.88 0.84 Allowed Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.786 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.8 161.46 45.85 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.691 2.261 . . . . 0.0 111.657 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -81.08 119.49 76.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.21 -175.43 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.911 2.407 . . . . 0.0 112.843 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -51.46 117.24 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 112.793 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -144.19 161.06 39.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.136 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.4 HG21 ' CE1' ' B' ' 45' ' ' TYR . 1.7 mp -105.88 131.1 56.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.335 0.588 . . . . 0.0 110.358 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.8 m -78.2 -42.21 32.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.736 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -159.3 144.72 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.667 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE2' ' HA2' ' B' ' 65' ' ' GLY . 94.2 m-85 -104.52 127.47 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.51 117.59 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 115.72 27.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.477 -0.783 . . . . 0.0 108.89 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.6 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 97.2 mtt180 -115.53 137.36 52.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.646 176.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.417 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.4 p90 -141.89 145.79 35.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.699 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.477 ' HB2' ' CD2' ' B' ' 58' ' ' TRP . 2.7 tmm_? -138.88 130.86 15.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.553 -177.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.94 114.96 3.01 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -62.6 -38.98 92.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.226 -172.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -91.57 5.25 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.021 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -126.74 154.07 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.431 . . . . 0.0 110.959 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 m -82.09 33.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 0.0 111.494 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -178.94 52.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.635 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -107.52 178.17 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 61.2 m95 -90.18 114.46 26.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.832 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 81.7 mttt -78.83 155.94 28.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -123.22 127.36 48.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 111.765 -174.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.47 127.83 50.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.431 170.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 23.6 m -101.73 116.76 33.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.004 0.431 . . . . 0.0 110.849 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.9 127.78 26.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.184 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.05 141.74 36.61 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.575 2.183 . . . . 0.0 111.479 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.497 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -76.2 49.64 2.62 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.809 -172.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -167.0 24.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.53 -45.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.385 0.612 . . . . 0.0 110.01 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.555 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 4.3 m-20 63.17 21.51 12.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.036 169.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.429 ' HB3' ' HG2' ' A' ' 26' ' ' ARG . 5.7 p -160.03 134.87 7.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.824 -178.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -143.65 139.88 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 85.1 m -96.26 103.48 15.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.079 174.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' SER . 32.8 mt -79.88 120.99 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.24 160.15 16.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.787 0.327 . . . . 0.0 110.137 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.97 58.14 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.881 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.43 122.13 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -85.04 130.13 53.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.447 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.68 131.17 25.2 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.709 2.273 . . . . 0.0 111.884 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.85 -12.93 68.51 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.875 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 90.7 t -94.02 127.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.988 0.423 . . . . 0.0 110.104 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.73 132.77 31.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -120.01 137.33 54.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 45.0 mt-10 -103.55 124.8 49.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.37 155.44 16.09 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.016 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.501 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 27.6 mt-30 -142.66 121.34 12.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.14 -0.53 . . . . 0.0 110.227 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.33 110.35 22.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.466 HG21 HG22 ' B' ' 96' ' ' VAL . 16.9 mt -101.82 110.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.151 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.9 p -91.74 107.6 19.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.558 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.0 mm -84.93 107.1 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -82.66 176.97 8.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.892 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -55.59 -45.58 77.41 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.09 4.62 37.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 111.047 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.42 7.95 60.17 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.943 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -65.73 119.88 11.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -92.26 121.88 34.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.636 ' CG ' ' HB1' ' A' ' 9' ' ' ALA . 5.7 tp10 -124.7 131.64 53.45 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.466 HG22 HG21 ' B' ' 86' ' ' ILE . 35.6 t -115.7 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.974 0.416 . . . . 0.0 111.577 -172.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -101.04 114.84 29.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.654 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.501 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 58.4 mtm180 -95.31 135.1 37.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.712 -173.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.505 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 28.9 p90 -144.82 164.82 29.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.342 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -122.91 140.38 53.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.403 ' CB ' HG23 ' A' ' 15' ' ' VAL . 35.6 p90 -148.41 144.57 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.53 0.681 . . . . 0.0 111.887 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.7 m -155.29 -50.54 0.09 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.853 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.15 125.64 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.696 175.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -70.71 -22.55 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.451 . . . . 0.0 110.495 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -91.8 84.43 5.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.2 t -129.79 32.19 4.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t 63.05 78.85 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.814 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 21.3 p -114.1 96.1 40.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.321 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.77 -5.87 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.611 2.207 . . . . 0.0 112.288 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.36 126.25 2.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.197 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -74.55 -8.52 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.258 0.551 . . . . 0.0 110.321 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -61.32 -28.61 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.648 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.8 t -90.42 103.81 16.46 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 110.108 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -150.2 41.96 0.83 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.587 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -61.59 101.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 61.97 29.07 17.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.305 -173.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 57.97 26.0 12.9 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.264 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -64.57 -63.03 1.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 . . . . . 0 C--O 1.247 0.923 0 O-C-N 123.709 0.631 . . . . 0.0 111.224 175.288 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -82.17 78.65 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.126 0.489 . . . . 0.0 110.754 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.458 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 49.4 mt-30 -97.66 79.61 2.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.184 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -91.68 -26.99 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.235 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 9.4 p -83.48 -14.02 53.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.758 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 3' ' ' GLN . . . -94.88 105.41 18.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 5' ' ' THR . 89.7 Cg_endo -85.91 175.32 5.93 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.612 2.208 . . . . 0.0 111.79 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.56 20.0 18.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.401 0.619 . . . . 0.0 109.424 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.21 127.38 53.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.492 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.73 130.09 29.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.18 2.587 . . . . 0.0 112.172 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.553 ' HD2' ' O ' ' A' ' 28' ' ' SER . 88.6 Cg_exo -45.7 146.73 3.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.331 2.687 . . . . 0.0 112.252 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.62 114.71 0.84 Allowed Pre-proline 0 N--CA 1.469 0.49 0 O-C-N 124.433 1.083 . . . . 0.0 111.984 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HG2' ' CD1' ' B' ' 99' ' ' PHE . 98.5 Cg_exo -47.56 141.01 15.67 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.868 3.045 . . . . 0.0 113.687 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -99.69 114.19 27.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.178 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' B' ' 105' ' ' SER . 75.0 t -104.79 125.35 59.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 120.89 0.376 . . . . 0.0 110.276 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -80.28 -179.64 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -59.57 130.82 48.72 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.136 0.493 . . . . 0.0 110.609 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.33 133.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.03 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -82.17 -151.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.424 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.08 -54.1 49.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -150.16 35.3 0.66 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 13.8 m -147.89 150.44 34.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.741 0.305 . . . . 0.0 111.379 -177.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 pt -127.6 154.21 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.088 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -103.89 106.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.04 115.15 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 26' ' ' ARG . 29.1 mtt180 -103.26 159.48 15.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.951 -177.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -148.22 134.77 19.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.553 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 30.1 m -80.98 111.39 17.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.05 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.544 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -60.64 139.75 92.86 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.34 177.245 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.591 2.194 . . . . 0.0 111.563 177.731 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.553 0.216 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -152.29 179.42 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.628 0.252 . . . . 0.0 110.348 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.08 -149.27 9.05 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.836 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.6 p -68.27 -58.26 4.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.763 0.316 . . . . 0.0 110.669 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -173.46 140.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.99 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.52 96.37 43.24 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.99 103.45 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 112.401 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.06 125.72 89.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.759 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.04 69.0 3.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.941 2.427 . . . . 0.0 112.362 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 63.1 p -147.97 -150.3 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.739 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 69.76 89.04 0.1 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.147 0.499 . . . . 0.0 110.575 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.441 ' N ' HD13 ' B' ' 42' ' ' ILE . 3.2 mp -85.64 119.53 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.098 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -75.02 -33.17 61.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.084 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -164.91 147.12 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.226 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.77 124.17 49.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.425 HD13 ' N ' ' B' ' 46' ' ' ILE . 2.9 mp -102.9 120.75 53.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.911 0.386 . . . . 0.0 110.276 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.48 114.74 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.571 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 80.7 mtt180 -114.23 137.41 51.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.42 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.3 p90 -142.47 156.18 45.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.75 0.31 . . . . 0.0 110.733 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -148.72 134.92 9.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.339 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.9 124.66 13.43 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.202 . . . . 0.0 111.735 174.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' B' ' 80' ' ' VAL . 8.0 mmtp -78.83 -29.97 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.673 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -61.04 -36.04 78.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -115.25 -171.46 1.96 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 p -61.15 -48.22 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.46 151.47 3.08 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.869 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -118.83 138.42 52.73 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -75.95 126.57 31.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.852 0.358 . . . . 0.0 110.063 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 26.6 mtpp -104.02 144.35 31.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.843 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -113.51 123.09 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.743 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.04 115.82 26.14 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 61.3 m -90.96 118.94 30.75 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.112 0.482 . . . . 0.0 110.742 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 5.4 mp -110.16 126.54 28.75 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.33 144.96 12.28 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.001 2.467 . . . . 0.0 112.322 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.19 -4.85 17.83 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 114.179 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -103.75 14.93 29.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.186 0.493 . . . . 0.0 111.456 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.48 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 70.9 mt -118.65 150.01 40.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.448 ' OD1' ' HD2' ' A' ' 29' ' ' ARG . 13.9 m120 -127.9 21.82 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.416 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.0 p -159.34 145.07 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.391 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -137.34 142.67 41.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.016 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -99.77 105.43 17.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 22' ' ' SER . 27.3 mt -82.27 116.49 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -109.69 130.12 55.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.276 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.96 4.23 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.056 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 99.2 mt -103.66 138.07 40.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -93.53 121.24 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.387 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.3 131.71 37.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.482 2.122 . . . . 0.0 111.717 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.31 -27.97 17.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.652 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 85.5 t -86.98 132.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' B' ' 52' ' ' LYS . 31.5 m -83.83 137.93 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.248 0.547 . . . . 0.0 110.81 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.1 156.01 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 68.2 mm-40 -103.22 140.41 37.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -125.02 130.32 7.34 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.397 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.48 ' OE1' ' HG2' ' B' ' 98' ' ' ARG . 71.5 mm-40 -123.84 114.52 19.97 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -100.53 101.64 12.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.47 HG23 HG22 ' B' ' 96' ' ' VAL . 4.2 mp -96.5 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -91.25 117.36 29.58 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . 0.409 ' CD1' ' HG2' ' B' ' 94' ' ' GLN . 40.4 mm -96.36 114.09 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.217 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -88.61 162.22 16.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.969 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -57.26 -34.08 68.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.177 0.513 . . . . 0.0 111.056 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.27 11.19 5.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.497 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.5 13.51 83.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.551 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -83.44 128.03 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.409 ' HG2' ' CD1' ' B' ' 88' ' ' ILE . 77.0 mt-30 -105.7 120.0 40.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.918 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -113.17 113.74 25.78 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.47 HG22 HG23 ' B' ' 86' ' ' ILE . 40.4 t -109.83 110.05 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -174.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 18.5 m -92.01 115.01 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.715 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.48 ' HG2' ' OE1' ' B' ' 84' ' ' GLN . 45.3 mtp85 -86.59 133.5 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.477 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 24.7 p90 -153.12 178.6 9.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.82 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -145.63 153.27 40.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -144.69 152.46 40.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.963 0.411 . . . . 0.0 111.093 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 40.8 m -151.38 -60.19 0.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.149 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 87.5 m -156.76 -56.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -97.23 65.52 2.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.189 0.518 . . . . 0.0 110.752 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.467 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . 36.0 t -82.03 -66.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 71.6 m -123.71 94.2 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 109.81 171.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 24.5 m -151.28 106.33 3.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.541 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.6 m -109.79 97.82 30.52 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.3 -33.78 13.94 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.374 2.049 . . . . 0.0 111.918 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -99.45 50.56 1.15 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.903 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 11.0 p -70.67 -40.67 72.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 55.0 74.69 0.35 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.28 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.7 m -80.84 60.66 4.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.057 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -111.23 34.02 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.173 0.987 . . . . 0.0 109.114 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -135.9 34.38 2.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.331 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.511 ' HA ' ' OXT' ' B' ' 119' ' ' HIS . 35.3 t60 -81.96 52.97 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 -170.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -100.72 79.02 2.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 171.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 62.2 t60 65.35 34.29 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.459 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.511 ' OXT' ' HA ' ' B' ' 116' ' ' HIS . 83.9 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.678 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -84.48 79.47 9.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.908 0.385 . . . . 0.0 110.973 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -79.21 -29.23 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.127 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -85.69 -76.78 0.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.887 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -144.42 -72.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' N ' ' HD3' ' A' ' 7' ' ' PRO . . . -144.86 58.1 5.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.149 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 81.8 Cg_endo -90.18 145.42 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.463 2.109 . . . . 0.0 111.87 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.27 54.77 2.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.41 0.624 . . . . 0.0 110.326 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 134.26 78.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.84 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.66 125.97 19.89 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 111.502 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -59.27 173.77 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.049 2.499 . . . . 0.0 112.848 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -46.41 115.18 2.99 Favored Pre-proline 0 C--O 1.237 0.399 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.01 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.42 120.97 8.03 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.903 2.402 . . . . 0.0 111.092 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.2 m -104.68 132.1 51.33 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.16 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.3 t -95.33 112.77 28.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.083 0.468 . . . . 0.0 110.557 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' OD2' ' HD3' ' A' ' 26' ' ' ARG . 27.6 m-20 -107.05 155.18 20.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.821 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 56.18 72.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.696 0.622 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -86.73 117.99 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.485 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -93.15 -159.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HA ' ' OG1' ' B' ' 104' ' ' THR . 37.6 m-20 -78.34 -49.6 13.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 HG21 ' O ' ' B' ' 75' ' ' LEU . 33.3 p -122.86 11.22 9.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.252 -175.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 25.4 p -144.8 151.25 38.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.847 0.356 . . . . 0.0 111.229 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' B' ' 71' ' ' THR . 19.0 pt -139.28 163.17 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -109.2 103.88 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.86 115.63 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.277 0.561 . . . . 0.0 109.519 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HD3' ' OD2' ' A' ' 16' ' ' ASP . 68.6 mtp180 -111.41 141.48 44.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.038 -173.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 21.9 p90 -121.67 132.33 54.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 0.0 110.002 175.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.457 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 12.1 m -74.84 159.67 31.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.758 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -76.78 125.63 86.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.222 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.956 2.437 . . . . 0.0 112.102 -178.794 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.4 66.16 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.151 0.5 . . . . 0.0 109.677 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 156.35 26.29 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -78.1 115.45 17.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.2 m120 56.59 69.53 0.73 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.921 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.46 113.99 15.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.39 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.441 ' O ' ' HD3' ' B' ' 39' ' ' PRO . 72.7 Cg_exo -50.01 121.68 7.91 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.223 2.615 . . . . 0.0 112.986 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -98.9 105.47 31.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.237 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' B' ' 37' ' ' PRO . 27.7 Cg_exo -62.16 -44.62 18.72 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.709 2.273 . . . . 0.0 111.521 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 36.0 p -63.68 -52.98 58.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.811 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.447 ' HB3' ' HB2' ' B' ' 90' ' ' GLN . 86.3 t60 51.8 79.53 0.1 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.168 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.432 HG22 ' CZ ' ' B' ' 45' ' ' TYR . 3.2 mp -66.79 113.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 177.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.6 m -70.26 -39.13 75.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.7 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -165.03 151.79 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.728 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.447 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 87.6 m-85 -107.65 129.51 55.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.423 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.6 mp -105.72 117.08 50.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.038 0.447 . . . . 0.0 110.015 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.498 HD11 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -99.71 114.01 26.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.632 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 50.0 mtm180 -120.18 126.52 50.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.498 ' CE3' HD11 ' B' ' 47' ' ' LEU . 20.2 p90 -140.23 159.56 41.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.407 ' HG2' ' CZ3' ' B' ' 58' ' ' TRP . 21.9 ptt180 -157.5 145.63 14.16 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.536 175.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.5 143.03 55.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.327 2.018 . . . . 0.0 111.46 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -61.01 -18.93 60.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.173 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -84.37 -4.46 58.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.775 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -129.35 120.17 25.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.718 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -98.48 19.82 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.004 0.906 . . . . 0.0 109.882 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.77 -127.62 2.96 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.311 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.39 149.72 40.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.362 0.601 . . . . 0.0 112.166 -173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.407 ' CZ3' ' HG2' ' B' ' 50' ' ' ARG . 86.3 m95 -91.95 131.53 37.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.355 172.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.632 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 58.5 mttm -77.3 134.75 38.44 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -114.17 138.82 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 111.902 -170.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.78 138.36 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 39.9 m -110.7 117.06 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.954 0.407 . . . . 0.0 110.773 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mp -112.2 132.15 22.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.192 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.71 138.06 59.33 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.644 2.229 . . . . 0.0 111.728 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.447 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -63.51 -12.26 45.32 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 113.141 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -75.14 -24.77 58.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.619 0.247 . . . . 0.0 111.026 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.11 155.01 20.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.822 0.344 . . . . 0.0 110.512 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.59 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 14.9 m120 -127.7 11.26 6.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 60.1 p -153.41 134.67 14.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.976 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -124.85 139.46 53.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.779 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 18.1 m -100.72 98.2 8.77 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 22' ' ' SER . 51.0 mt -70.62 129.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.727 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -122.43 140.54 52.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.95 15.97 27.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.512 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.449 ' O ' HG21 ' A' ' 21' ' ' THR . 82.4 mt -76.5 168.35 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -116.88 129.06 25.58 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.577 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.41 131.58 26.82 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.63 2.22 . . . . 0.0 111.972 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.8 4.32 72.78 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.573 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 62.2 t -114.24 135.79 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.64 145.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.655 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -126.54 152.52 46.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.317 0.579 . . . . 0.0 112.001 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -103.55 143.99 32.01 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.8 141.68 7.95 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.857 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -131.08 131.25 44.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.794 0.33 . . . . 0.0 110.3 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -92.95 107.58 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.468 HG21 HG21 ' B' ' 96' ' ' VAL . 15.1 mt -98.88 112.19 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.322 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 30.4 p -96.53 126.11 41.48 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 42.1 mm -103.44 111.5 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -98.54 179.12 4.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 41' ' ' HIS . 9.9 tt0 -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.492 -176.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.82 16.17 1.22 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.6 15.28 81.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.334 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.5 120.41 17.04 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.735 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -99.83 118.54 36.51 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 168.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.415 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 71.6 mm-40 -117.6 114.23 23.1 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.468 HG21 HG21 ' B' ' 86' ' ' ILE . 47.1 t -104.12 107.53 22.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.518 -175.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 10.9 m -99.02 109.29 22.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.921 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -79.39 133.61 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 -176.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -135.66 155.71 50.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.114 0.483 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.36 140.81 49.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.622 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -157.39 171.0 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.924 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -163.22 138.71 6.69 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.948 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.06 119.38 27.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.864 -177.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 42.7 m 76.27 -16.34 0.62 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 2.5 m -78.2 35.99 0.23 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.056 -0.402 . . . . 0.0 111.764 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 p -89.35 -9.38 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -81.32 55.81 2.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.728 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 12.3 p -80.87 147.19 61.4 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.07 89.16 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -114.65 -114.52 3.04 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.77 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t 56.32 41.64 28.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.286 0.565 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -105.66 6.78 32.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.285 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 16.2 m 62.67 24.95 14.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.459 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.9 49.14 2.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.995 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -113.19 20.79 15.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.026 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -112.13 38.56 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.826 0.822 . . . . 0.0 109.124 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -69.07 120.91 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.499 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -99.33 173.49 6.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.898 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.867 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -73.62 -48.61 31.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.083 0.468 . . . . 0.0 109.943 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -178.09 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.929 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.7 m -128.26 108.87 10.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.689 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.5 m -76.22 69.47 2.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.397 0.618 . . . . 0.0 110.977 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' N ' ' HD3' ' A' ' 7' ' ' PRO . . . -154.7 58.7 2.12 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.023 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -85.41 152.48 10.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.884 2.389 . . . . 0.0 111.597 178.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.72 -49.79 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.901 0.381 . . . . 0.0 111.185 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.01 141.03 24.88 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.95 127.35 23.99 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.905 2.404 . . . . 0.0 111.938 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -43.21 -61.4 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.742 2.962 . . . . 0.0 114.075 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -151.94 117.57 3.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.103 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 114.92 4.15 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.402 2.068 . . . . 0.0 110.296 170.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -110.03 141.76 42.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.478 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' B' ' 101' ' ' PHE . 86.4 t -95.86 112.22 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.521 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -121.68 166.94 13.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 52.98 61.53 3.13 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.839 0.712 . . . . 0.0 111.867 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.72 113.16 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.56 -150.35 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.66 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.83 -50.87 67.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER -148.28 36.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.49 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 p -144.91 143.8 30.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.205 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' B' ' 71' ' ' THR . 11.0 pt -127.41 169.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -117.66 105.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 167.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 69' ' ' SER . 2.4 p -89.51 113.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.18 143.96 31.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.008 -173.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.5 p90 -143.75 146.76 33.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.972 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -97.03 111.92 23.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 7.0 ppt_? -70.58 149.59 95.47 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.895 2.396 . . . . 0.0 112.367 176.33 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.869 0.366 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -143.14 26.68 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.51 -162.44 10.31 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 m -85.74 -43.96 12.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.055 0.455 . . . . 0.0 110.581 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -130.65 140.41 50.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.83 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.91 125.04 58.48 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.147 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.64 107.55 1.07 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.322 2.015 . . . . 0.0 111.316 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 38' ' ' GLN . 16.1 mm-40 -97.03 114.14 64.17 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.236 -175.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.419 ' HA ' ' NE2' ' B' ' 90' ' ' GLN . 46.7 Cg_endo -71.26 -23.11 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.403 2.069 . . . . 0.0 111.433 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' PRO . 8.9 m -89.28 21.41 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.098 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -86.25 131.97 34.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.818 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.41 134.47 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.778 -176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.4 p -86.84 -34.74 19.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.878 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -164.86 153.25 12.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.43 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' HB ' ' B' ' 63' ' ' ILE . 41.9 m-85 -110.4 130.81 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.443 ' N ' HD12 ' B' ' 46' ' ' ILE . 2.5 mp -104.96 112.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.414 HD13 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -99.39 118.0 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 41.0 mtm180 -128.38 130.59 47.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.414 ' CE3' HD13 ' B' ' 47' ' ' LEU . 22.4 p90 -137.77 145.72 42.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.861 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 17.7 ptt180 -135.08 133.17 20.62 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.291 176.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 7.5 Cg_exo -72.3 135.23 24.29 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.469 2.112 . . . . 0.0 110.975 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -63.3 -22.66 67.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.785 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -81.94 -11.55 58.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.831 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.2 m -100.55 142.73 31.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.859 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.31 15.54 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.896 0.855 . . . . 0.0 110.307 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.84 -128.74 3.25 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.918 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -103.43 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.971 0.415 . . . . 0.0 111.196 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -77.61 129.91 36.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.231 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 55.1 mtpt -78.0 128.25 33.59 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -117.4 149.26 40.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.538 . . . . 0.0 111.909 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.18 149.91 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.514 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -112.48 124.07 51.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.916 0.388 . . . . 0.0 110.644 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' B' ' 45' ' ' TYR . 4.5 mp -113.32 128.14 26.02 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.862 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.57 139.78 37.61 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.978 2.452 . . . . 0.0 112.198 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -75.65 52.93 2.81 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.383 -174.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -161.9 21.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.3 mt -117.11 162.97 16.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.55 -1.41 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 38.2 p -157.33 158.97 37.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.043 0.449 . . . . 0.0 111.67 -177.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -142.93 137.84 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.184 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 30.6 m -87.55 99.58 12.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 49.2 mt -82.44 121.11 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.15 131.16 55.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.82 0.343 . . . . 0.0 110.394 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.98 20.01 5.79 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.204 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' THR . 29.4 mt -103.96 123.19 46.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 110.79 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.53 121.95 67.76 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.212 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.29 118.59 5.48 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.409 2.073 . . . . 0.0 111.735 177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.26 -19.28 22.59 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.52 134.48 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.3 t -79.97 114.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.239 0.542 . . . . 0.0 111.321 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -111.97 136.5 51.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.815 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -103.55 133.32 48.78 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.75 160.53 27.98 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.601 -1.285 . . . . 0.0 113.292 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -137.5 134.67 36.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.497 -0.351 . . . . 0.0 110.391 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -101.73 102.21 12.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.455 HG22 HG23 ' B' ' 96' ' ' VAL . 4.2 mp -98.73 113.55 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 17.0 m -97.35 132.05 43.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.553 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.9 mm -99.48 126.52 52.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.58 -177.99 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.98 0.419 . . . . 0.0 112.032 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' B' ' 39' ' ' PRO . 7.2 tt0 -53.51 -44.99 69.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.905 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -86.34 13.25 8.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.496 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.51 17.2 79.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.991 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.35 129.13 35.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -99.14 121.55 41.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 0.0 110.748 -176.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 69.2 mm-40 -106.62 114.33 28.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.618 175.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.455 HG23 HG22 ' B' ' 86' ' ' ILE . 49.7 t -104.32 107.44 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.911 0.386 . . . . 0.0 110.806 -176.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 13.8 m -106.52 111.92 24.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -86.56 149.16 25.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.426 -174.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -150.91 176.83 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.979 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -144.03 169.96 16.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.479 ' CD1' HG12 ' A' ' 15' ' ' VAL . 33.0 t80 -131.02 134.38 46.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 110.694 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.4 p 41.02 47.4 2.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 8.6 m -96.32 -33.39 11.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 11.3 m -81.95 66.31 7.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.616 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 20.0 m -91.26 30.49 1.26 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.81 56.56 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.192 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -77.02 -41.53 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 29.3 m -137.55 81.84 29.04 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.515 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.07 144.14 18.43 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.033 2.488 . . . . 0.0 112.245 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.66 116.76 4.3 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.73 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 5.0 p -92.31 -54.5 3.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 56.31 74.43 0.39 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.45 0.469 . . . . 0.0 110.494 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 11.1 p -63.25 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.345 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.37 -9.9 59.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.415 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.66 15.91 22.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.36 . . . . 0.0 110.718 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -120.5 105.64 11.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -70.28 -28.59 65.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.401 . . . . 0.0 110.408 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -80.38 75.77 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.158 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.276 178.32 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -97.8 -48.98 4.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.612 0.244 . . . . 0.0 110.622 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -78.82 99.15 6.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 0.0 110.724 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 m -125.54 96.88 4.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.135 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -75.36 146.7 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.018 0.437 . . . . 0.0 110.245 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' H ' ' CD ' ' A' ' 7' ' ' PRO . . . -147.55 -46.88 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.059 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.463 ' CD ' ' H ' ' A' ' 6' ' ' ALA . 37.3 Cg_exo -62.06 106.51 0.47 Allowed 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.814 1.676 . . . . 0.0 112.58 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -98.63 16.64 21.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.486 0.66 . . . . 0.0 110.131 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.88 135.74 21.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.054 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.92 123.36 11.81 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 0.0 111.408 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -52.4 153.04 14.31 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.993 2.462 . . . . 0.0 112.484 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -44.67 116.05 2.57 Favored Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.952 -176.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -62.1 147.51 94.95 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.287 2.658 . . . . 0.0 112.677 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -111.18 138.5 47.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.0 t -101.63 120.87 51.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.78 0.324 . . . . 0.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.38 167.13 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 47.81 70.79 0.39 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.104 0.878 . . . . 0.0 111.707 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 p -86.63 121.07 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.271 0.558 . . . . 0.0 110.887 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -97.82 -157.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.78 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.62 -48.87 65.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.287 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 22.4 p -135.29 22.98 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.097 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 12.3 p -144.73 146.92 32.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.726 0.298 . . . . 0.0 111.622 -178.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' B' ' 71' ' ' THR . 17.7 pt -135.88 160.23 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.999 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -106.25 105.54 18.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p -100.73 120.15 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.483 . . . . 0.0 109.872 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -126.63 154.98 43.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.211 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CE2' ' HA ' ' B' ' 68' ' ' ASN . 35.9 p90 -142.89 164.84 29.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.409 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 149.33 21.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.343 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 14.0 mmm180 -74.19 138.43 75.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.995 176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 29' ' ' ARG . 8.6 Cg_exo . . . . . 0 C--O 1.245 0.872 0 C-N-CA 122.474 2.116 . . . . 0.0 111.789 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 91.1 mtp . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 52.47 42.67 31.33 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.537 . . . . 0.0 110.967 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.39 55.39 0.46 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -136.34 40.41 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.929 0.395 . . . . 0.0 110.125 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 m120 56.99 61.41 2.6 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.262 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.86 85.79 0.17 Allowed Pre-proline 0 C--O 1.235 0.323 0 O-C-N 123.784 0.677 . . . . 0.0 110.042 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.91 84.26 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.062 2.508 . . . . 0.0 113.152 -176.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.63 113.3 64.21 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.971 175.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.36 -37.23 97.37 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.66 2.24 . . . . 0.0 111.021 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.0 t -87.28 61.01 6.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.482 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -110.81 87.71 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.497 HG21 ' CE1' ' B' ' 45' ' ' TYR . 3.6 mp -87.35 132.31 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.859 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -88.42 -37.65 15.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.318 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -161.38 151.81 17.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE1' HG21 ' B' ' 42' ' ' ILE . 67.2 m-85 -110.4 137.93 47.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.437 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 3.0 mp -110.74 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.39 121.59 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 53.4 mtm180 -127.38 133.34 50.04 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.8 p90 -132.14 147.66 52.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.222 0.534 . . . . 0.0 111.49 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 56.8 ttp180 -145.22 134.41 11.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.912 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.88 135.15 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.452 2.101 . . . . 0.0 111.895 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.419 ' HG3' ' CG1' ' B' ' 80' ' ' VAL . 42.2 mmtt -62.72 -32.26 73.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.399 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -92.5 -14.27 28.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.639 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -129.06 117.19 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.428 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 9.5 p -70.62 -41.03 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.43 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 33.91 -110.56 0.06 OUTLIER Glycine 0 C--N 1.341 0.855 0 O-C-N 124.151 0.907 . . . . 0.0 114.196 173.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 0.3 OUTLIER -154.32 154.68 33.77 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.04 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 62.0 mttp -92.77 130.68 38.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -115.25 124.41 51.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 0.0 111.157 -173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 137.66 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.279 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 33.5 m -103.55 121.3 42.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.081 0.467 . . . . 0.0 111.067 -178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.406 ' N ' HD11 ' B' ' 63' ' ' ILE . 4.5 mp -111.83 129.81 23.82 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.436 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.15 136.48 24.22 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.687 2.258 . . . . 0.0 111.879 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -74.37 49.91 1.99 Allowed Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.533 -0.365 . . . . 0.0 113.904 -172.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -168.15 30.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.734 0.302 . . . . 0.0 110.835 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -117.69 -52.74 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.678 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.577 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 3.9 m-20 63.81 27.68 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.667 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 13.7 p -156.59 133.25 10.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.09 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -147.71 140.26 24.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.56 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 21.6 m -104.48 98.9 8.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.377 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' A' ' 22' ' ' SER . 44.9 mt -70.7 129.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.794 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -123.11 124.69 43.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 0.0 110.705 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.64 4.28 6.87 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.227 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' THR . 86.3 mt -74.47 122.85 23.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.37 130.97 83.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.21 120.15 7.27 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.763 2.308 . . . . 0.0 111.915 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.65 -17.46 39.25 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.858 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.43 133.06 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.538 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.419 ' CG1' ' HG3' ' B' ' 52' ' ' LYS . 17.7 t -89.2 146.28 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -127.62 156.1 42.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.685 0.755 . . . . 0.0 112.562 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 5.4 mm-40 -102.43 121.34 42.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.757 171.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.56 146.33 18.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.366 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -142.37 135.48 28.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.924 0.392 . . . . 0.0 110.84 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -108.89 117.49 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.363 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.485 HG21 HG21 ' B' ' 96' ' ' VAL . 12.3 mt -106.61 115.03 47.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -178.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.9 p -94.8 115.43 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.982 0.42 . . . . 0.0 111.123 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.26 103.27 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.023 0.439 . . . . 0.0 110.125 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 161.44 14.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.733 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -65.47 -12.05 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.363 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -92.42 -3.34 55.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.057 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.53 8.74 86.62 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.094 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -81.2 117.38 21.68 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -106.37 119.19 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.23 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -110.87 124.7 52.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.485 HG21 HG21 ' B' ' 86' ' ' ILE . 39.3 t -111.34 106.82 21.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 -178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.052 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -90.88 146.96 23.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -143.24 158.21 43.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.424 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.75 131.15 55.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.69 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -155.7 167.66 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.943 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 9.9 t -159.01 145.67 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.564 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.93 93.46 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 172.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -96.51 136.26 37.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.852 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -110.86 -55.7 2.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.786 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.6 p -84.78 67.87 10.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.405 0.622 . . . . 0.0 111.17 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -94.74 71.53 3.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.169 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -136.43 75.14 52.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.636 0.731 . . . . 0.0 110.969 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.11 162.94 40.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.03 2.487 . . . . 0.0 111.748 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.7 41.56 4.11 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.2 t -60.96 -26.69 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.344 -0.428 . . . . 0.0 111.738 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -69.46 -40.91 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.2 m -87.73 -22.7 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.534 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -72.77 100.5 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -93.71 67.89 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.862 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -100.58 -84.9 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.894 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.7 m80 50.52 36.7 14.15 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.759 0.662 . . . . 0.0 111.086 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -114.09 136.46 52.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.213 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.978 179.346 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -120.98 120.18 34.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 58.86 29.03 18.28 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.817 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p -96.86 -50.87 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 m -91.76 108.3 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.89 89.96 3.95 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.685 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.18 -14.95 45.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.87 2.38 . . . . 0.0 113.41 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' HB3' ' NE2' ' B' ' 89' ' ' GLN . 15.3 m-20 -99.1 -6.82 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.06 140.18 22.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.389 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.66 120.35 8.12 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.518 2.145 . . . . 0.0 111.737 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 28' ' ' SER . 86.3 Cg_exo -45.18 -67.77 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.586 2.857 . . . . 0.0 113.739 -172.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 26.3 t70 -140.0 115.65 7.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.82 -177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 5.7 Cg_exo -78.97 132.87 10.8 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.959 2.439 . . . . 0.0 111.447 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.3 p -109.23 143.04 39.21 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' B' ' 101' ' ' PHE . 55.4 t -102.92 110.66 30.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.528 174.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.65 162.07 22.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.245 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 17' ' ' GLN . 1.9 mp0 51.76 72.77 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.483 0.489 . . . . 0.0 111.977 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -87.75 121.64 38.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.047 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -102.08 -159.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.375 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.4 -52.53 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.425 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.55 32.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.462 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 15.6 p -147.05 149.47 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.69 0.281 . . . . 0.0 111.277 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' B' ' 71' ' ' THR . 18.7 pt -131.84 164.59 34.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.7 t -112.43 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.18 117.8 37.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -122.84 143.69 49.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.413 -176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.448 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 12.5 p90 -125.63 137.23 53.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.987 0.422 . . . . 0.0 110.921 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.467 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 14.9 m -85.95 137.25 32.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.279 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 mmm-85 -75.13 136.69 72.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.114 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 123.019 2.479 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mmm . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.809 0.338 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -165.46 68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.537 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.25 5.34 11.06 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.408 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 14.8 t -98.76 97.05 8.32 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -133.89 86.99 2.33 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.6 102.38 42.11 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.53 139.41 64.2 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.618 2.212 . . . . 0.0 112.104 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -81.09 119.54 76.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.03 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.3 -21.85 40.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.969 2.446 . . . . 0.0 111.894 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -80.61 74.9 7.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.613 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -139.43 141.87 37.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.66 124.62 37.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.261 0.553 . . . . 0.0 110.448 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -74.13 -40.76 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.717 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -162.94 147.46 11.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.579 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 26.4 m-85 -103.46 136.55 43.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.1 mp -110.68 119.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 120.918 0.389 . . . . 0.0 109.959 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.93 117.38 34.7 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.651 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 60.3 mtm180 -117.6 127.35 53.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.363 176.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.641 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 27.7 p90 -127.65 139.86 52.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.351 0.596 . . . . 0.0 111.256 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -137.87 130.78 16.64 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.186 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.472 ' HB2' ' HB2' ' B' ' 54' ' ' SER . 23.5 Cg_exo -61.3 117.01 3.77 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.321 2.014 . . . . 0.0 111.418 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.537 ' CB ' HG21 ' B' ' 80' ' ' VAL . 5.9 tmtp? -58.79 -40.85 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.096 -171.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -87.55 -6.4 58.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.681 -175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' B' ' 51' ' ' PRO . 5.4 m -109.78 158.04 18.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.158 0.504 . . . . 0.0 110.839 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.93 30.95 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 122.138 0.97 . . . . 0.0 110.086 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.86 177.81 51.59 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.421 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 7.4 mpt_? -99.49 168.77 9.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.62 114.96 20.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.856 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.651 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 7.5 mtpm? -79.87 139.11 37.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -113.39 138.34 50.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.148 0.499 . . . . 0.0 111.753 -172.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.95 132.67 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.121 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 87.2 m -99.05 118.04 34.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.38 . . . . 0.0 110.68 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.442 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.9 mp -110.35 115.6 54.06 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.843 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -47.36 139.69 16.38 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 122.856 2.371 . . . . 0.0 111.999 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.579 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.93 52.88 2.52 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 116.035 -0.53 . . . . 0.0 114.277 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -163.17 15.23 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.55 -51.87 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.448 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 5.5 m-20 70.46 14.41 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.028 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 36.7 p -148.64 141.43 24.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.455 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . 0.442 ' HB2' HG12 ' B' ' 63' ' ' ILE . 70.9 t80 -143.72 134.43 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.565 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 46.3 m -92.41 99.57 12.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.096 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 22' ' ' SER . 34.1 mt -76.08 121.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.46 144.97 41.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.942 0.401 . . . . 0.0 110.727 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.69 46.51 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.994 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.67 124.55 28.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.852 0.358 . . . . 0.0 110.691 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -91.55 122.19 66.2 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.125 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.81 125.08 16.3 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.82 -21.99 30.94 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.528 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 86.1 t -98.56 117.58 43.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.537 HG21 ' CB ' ' B' ' 52' ' ' LYS . 27.0 m -80.64 132.93 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.231 0.538 . . . . 0.0 110.4 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' B' ' 100' ' ' ASP . 95.1 m-85 -114.11 149.77 35.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.598 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.641 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 13.4 mm-40 -101.44 123.81 46.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.85 127.94 8.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.469 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -116.15 114.24 24.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -94.91 112.22 23.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 10.6 mt -110.55 113.7 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 24.9 m -95.59 126.3 40.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 39.3 mm -105.84 121.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 8' ' ' ASP . 79.6 mt-30 -96.33 170.93 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.618 175.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.61 -21.8 66.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.166 0.508 . . . . 0.0 110.31 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -73.47 -11.44 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.156 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.66 7.18 88.43 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.57 -174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -79.42 125.85 30.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -107.75 128.63 54.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 64.6 mm-40 -115.19 129.13 56.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.866 174.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.476 HG22 HG22 ' B' ' 86' ' ' ILE . 36.6 t -119.83 107.69 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 0.0 111.019 -175.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.7 m -92.76 111.54 23.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -86.92 132.06 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -157.53 -178.72 7.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.126 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' B' ' 81' ' ' TYR . 6.8 p-10 -148.05 166.41 27.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.477 ' HB3' HG21 ' A' ' 15' ' ' VAL . 22.7 p90 -153.14 176.98 11.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 18.5 m 63.1 79.55 0.26 Allowed 'General case' 0 N--CA 1.458 -0.059 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.357 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 4.6 m 70.61 55.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.064 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 97.3 m -49.24 130.45 19.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.538 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 9.4 p -110.58 -65.55 1.15 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.662 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 28.3 m 61.48 105.61 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.51 0.672 . . . . 0.0 111.741 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -78.41 67.4 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.031 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.596 ' OG1' ' HD3' ' B' ' 109' ' ' PRO . 1.1 p -129.48 -50.19 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 175.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . 0.596 ' HD3' ' OG1' ' B' ' 108' ' ' THR . 40.3 Cg_exo -58.13 124.24 15.47 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.845 1.696 . . . . 0.0 111.861 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 -148.15 19.49 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.7 t -78.28 -66.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 56.08 59.97 3.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.027 0.442 . . . . 0.0 111.089 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 66.9 m -81.02 117.23 21.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.951 0.405 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -97.76 99.39 10.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.301 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 58.2 m80 63.6 60.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.385 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 70.89 106.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.669 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -147.52 -50.83 0.19 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.087 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -86.4 103.39 14.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.079 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.4 m80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.999 178.418 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t 72.86 130.28 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.193 0.597 . . . . 0.0 111.575 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -94.27 0.91 55.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.226 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -87.92 14.1 9.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.472 0.653 . . . . 0.0 110.149 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 t -64.87 -34.33 78.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.689 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -136.08 83.4 33.7 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.091 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.94 89.85 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.953 2.436 . . . . 0.0 111.96 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -91.26 -16.1 28.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.305 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.34 149.96 36.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.79 138.08 72.11 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.794 2.329 . . . . 0.0 111.657 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HD2' ' O ' ' A' ' 28' ' ' SER . 22.0 Cg_exo -65.22 -165.47 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.087 2.524 . . . . 0.0 112.815 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.7 118.06 9.31 Favored Pre-proline 0 N--CA 1.466 0.343 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.18 118.72 4.78 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.847 2.365 . . . . 0.0 110.255 167.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -98.06 133.93 41.85 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.041 0.448 . . . . 0.0 110.332 -174.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.22 110.53 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.836 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.64 121.65 44.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 111.047 -176.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.65 -12.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 13.0 t70 -149.51 -168.21 3.04 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' H ' ' CG ' ' A' ' 19' ' ' ASP . 5.9 m-20 -79.68 -53.03 7.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.151 0.5 . . . . 0.0 109.946 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 7.0 p -106.81 16.95 23.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.358 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 p -147.4 140.09 24.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.247 0.546 . . . . 0.0 111.724 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.9 pt -122.51 166.31 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.495 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.77 105.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 166.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -90.88 116.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.774 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -118.63 125.22 49.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 -176.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.48 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 31.3 p90 -111.11 143.29 42.07 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 15.4 m -74.99 145.03 42.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.536 177.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -70.1 132.94 87.99 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.87 0.367 . . . . 0.0 110.498 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.898 3.066 . . . . 0.0 112.106 178.807 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.547 0.213 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -132.13 88.39 2.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.705 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 88.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.709 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.3 m -121.82 82.79 2.0 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.952 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -77.22 119.81 21.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.99 104.83 45.58 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.739 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.78 53.89 4.26 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.825 2.35 . . . . 0.0 111.094 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -54.21 143.71 43.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.779 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' OH ' ' B' ' 91' ' ' TYR . 35.6 Cg_endo -64.9 157.27 57.58 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 123.249 2.633 . . . . 0.0 112.826 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m 58.03 35.71 25.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.956 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -89.64 113.75 25.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.78 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.543 HG21 ' CE2' ' B' ' 45' ' ' TYR . 2.1 mp -83.93 123.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -80.02 -46.21 17.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.44 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -157.18 147.33 20.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 111.175 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.543 ' CE2' HG21 ' B' ' 42' ' ' ILE . 77.2 m-85 -105.34 131.04 53.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.193 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.423 ' N ' HD12 ' B' ' 46' ' ' ILE . 3.0 mp -105.78 117.8 52.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.11 113.95 25.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 91.8 mtt180 -111.01 129.96 55.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.728 177.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.523 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 20.9 p90 -142.65 152.56 42.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.854 0.359 . . . . 0.0 110.624 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 6.8 ptt180 -161.53 159.48 23.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -62.1 130.37 30.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.182 1.921 . . . . 0.0 110.972 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.468 ' HB3' HG11 ' B' ' 80' ' ' VAL . 14.9 tmtt? -77.87 -15.55 58.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.342 -173.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -65.98 -27.91 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 110.81 -178.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -142.47 -168.72 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.553 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 2.6 p -96.48 -53.17 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.902 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 54.7 -120.35 16.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.435 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' B' ' 48' ' ' ARG . 81.6 m95 -83.63 117.52 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 97.2 mttt -76.05 129.36 36.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.472 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.4 mt-10 -119.06 132.62 56.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.911 0.386 . . . . 0.0 111.285 -173.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.14 129.7 51.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -102.68 112.09 24.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.118 0.485 . . . . 0.0 110.717 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.82 123.69 35.62 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.917 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.78 142.14 19.57 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.864 2.376 . . . . 0.0 111.909 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -73.94 50.26 1.87 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 113.965 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -166.75 26.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.642 0.258 . . . . 0.0 110.84 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.5 mt -120.0 -47.95 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.157 0.503 . . . . 0.0 110.16 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.48 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 72.2 m-20 66.25 25.92 10.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.159 171.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.5 p -156.87 138.37 13.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.888 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -141.17 143.17 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.783 0.325 . . . . 0.0 110.349 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 28.2 m -98.01 101.14 12.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.98 0.419 . . . . 0.0 110.398 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 44.9 mt -82.51 116.29 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.002 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -107.27 129.68 54.85 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.185 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.11 25.02 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 21' ' ' THR . 58.5 mt -103.66 122.96 46.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 110.277 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -99.74 121.96 52.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.724 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.11 119.47 6.73 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.742 2.294 . . . . 0.0 111.682 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.61 -18.02 25.18 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.85 126.27 52.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.468 HG11 ' HB3' ' B' ' 52' ' ' LYS . 7.2 p -77.69 129.4 37.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 0.0 111.275 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -124.35 147.53 48.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 10.5 mm-40 -102.42 130.75 49.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.149 175.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.25 146.81 18.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.411 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.458 ' HG3' ' HB2' ' B' ' 48' ' ' ARG . 7.9 pt20 -150.2 137.6 19.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.044 0.449 . . . . 0.0 110.908 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -105.54 107.62 18.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.378 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.465 HG22 HG21 ' B' ' 96' ' ' VAL . 4.0 mp -99.52 116.43 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.8 m -96.76 120.45 37.11 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.74 112.65 31.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -94.75 170.54 9.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.972 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.65 -39.71 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.758 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.427 ' OH ' ' HA ' ' B' ' 39' ' ' PRO . 45.4 m-85 -72.46 -18.73 61.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.127 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.08 -2.11 65.66 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.189 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -69.82 120.56 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -92.25 121.06 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.685 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -115.49 121.58 43.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.917 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.465 HG21 HG22 ' B' ' 86' ' ' ILE . 44.0 t -113.81 123.27 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 0.0 111.248 -174.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 10.3 m -111.09 109.31 19.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.704 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -88.12 150.71 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.008 0.432 . . . . 0.0 111.601 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -150.2 176.56 10.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.758 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.98 142.84 34.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -129.09 144.24 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.069 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 29.1 m -151.32 -38.34 0.12 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.269 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 14.9 t -168.85 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.605 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m 56.05 67.27 1.03 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.818 0.818 . . . . 0.0 110.284 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -85.56 108.89 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.89 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.1 p -95.12 23.57 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.995 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 t 74.42 -49.73 0.67 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.449 0.7 . . . . 0.0 112.243 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.443 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 3.1 m -58.6 -53.33 67.28 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' B' ' 108' ' ' THR . 39.6 Cg_endo -66.51 -9.69 25.08 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.149 1.899 . . . . 0.0 112.351 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' B' ' 112' ' ' ARG . . . -66.56 -17.7 67.05 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.737 -178.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.2 m -81.97 35.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' B' ' 110' ' ' GLY . 72.1 ttt180 51.9 52.38 14.6 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.585 0.707 . . . . 0.0 109.825 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.8 t -127.45 85.33 2.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.127 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -119.14 82.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -85.09 118.13 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.039 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -108.9 56.63 0.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.179 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -77.01 75.77 3.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.728 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -92.62 131.65 37.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.242 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 42.5 t60 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.932 0.77 . . . . 0.0 110.553 177.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -90.92 109.45 20.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.953 0.406 . . . . 0.0 110.494 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.512 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 52.7 mt-30 -79.98 -5.26 55.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 t -77.14 -23.14 51.7 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.836 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 p -109.58 5.0 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.224 0.535 . . . . 0.0 110.607 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.37 -46.71 4.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.355 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 3' ' ' GLN . 7.5 Cg_exo -73.45 129.51 13.89 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.92 1.747 . . . . 0.0 111.883 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -102.23 50.26 0.84 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.91 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.71 133.66 46.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.593 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.77 133.94 61.21 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.572 2.181 . . . . 0.0 111.733 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -43.31 -59.78 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.42 2.747 . . . . 0.0 113.182 -174.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -156.96 114.9 1.99 Allowed Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.178 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.17 115.72 4.39 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.412 2.074 . . . . 0.0 110.712 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -105.45 142.53 35.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.09 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG21 ' CB ' ' B' ' 101' ' ' PHE . 69.1 t -96.42 120.36 45.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.699 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 17' ' ' GLN . 27.9 t70 -127.99 142.12 51.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 -176.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HG3' ' OD2' ' A' ' 16' ' ' ASP . 77.1 mt-30 60.75 85.99 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.836 0.71 . . . . 0.0 112.527 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.18 113.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.634 0.731 . . . . 0.0 110.223 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -87.28 -159.48 0.52 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.326 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.61 -46.88 83.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.617 0.246 . . . . 0.0 110.44 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p -150.2 38.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.276 0.56 . . . . 0.0 109.9 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 14.8 m -144.59 157.4 44.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' B' ' 71' ' ' THR . 20.3 pt -135.41 161.82 38.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.73 104.34 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 168.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' B' ' 69' ' ' SER . 2.3 p -91.85 119.95 40.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -114.72 143.19 45.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.825 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.498 ' O ' ' HB3' ' B' ' 68' ' ' ASN . 48.5 p90 -149.48 151.84 34.62 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -111.97 130.38 55.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.441 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 155.47 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.746 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.533 2.155 . . . . 0.0 112.182 178.71 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.793 0.33 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -108.29 145.19 34.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.229 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.34 -133.79 2.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.78 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -79.61 -53.38 6.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.73 0.3 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -117.75 30.17 7.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 110.704 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 51.16 68.78 3.02 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.664 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.93 99.97 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.717 2.278 . . . . 0.0 111.589 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -118.6 135.5 23.69 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.412 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' B' ' 91' ' ' TYR . 52.7 Cg_exo -56.68 -25.67 61.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.091 2.527 . . . . 0.0 111.963 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -70.79 86.4 0.68 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.948 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -164.16 89.02 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.396 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.528 HG23 ' CE2' ' B' ' 45' ' ' TYR . 3.2 mp -77.27 124.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.597 . . . . 0.0 110.514 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -79.98 -44.12 20.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.201 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -162.27 157.09 22.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.775 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.528 ' CE2' HG23 ' B' ' 42' ' ' ILE . 79.5 m-85 -114.37 133.81 55.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.412 HD11 ' N ' ' B' ' 46' ' ' ILE . 2.7 mp -108.07 121.06 60.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.09 115.01 28.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.084 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 98.2 mtt180 -112.59 132.6 55.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.015 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.592 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 34.9 p90 -141.43 149.82 41.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 178.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.679 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 14.7 ptt180 -152.27 156.24 33.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.592 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.6 116.4 3.26 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.293 1.995 . . . . 0.0 111.221 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.453 ' HB3' HG11 ' B' ' 80' ' ' VAL . 14.7 tmtt? -68.02 -26.97 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -172.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -72.39 -11.26 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.59 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 44.9 m -139.37 -166.69 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.679 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 14.8 p -91.02 -36.15 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 172.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.33 -143.74 21.2 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.285 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -138.36 137.81 37.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.46 ' CZ2' ' HD3' ' B' ' 50' ' ' ARG . 97.8 m95 -79.44 116.15 19.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.656 0.265 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 63.9 mttp -88.75 137.52 32.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 28.2 mt-10 -115.23 124.28 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.406 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.72 136.13 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.796 173.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -102.64 116.55 32.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.912 0.387 . . . . 0.0 110.541 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.63 125.72 30.67 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.912 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -52.14 138.01 54.13 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.506 2.137 . . . . 0.0 111.656 174.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.43 49.67 1.98 Allowed Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 113.545 -173.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -159.91 6.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.502 0.192 . . . . 0.0 111.204 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 mt -95.24 -48.5 5.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.605 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 18.3 m120 62.89 23.1 13.81 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.003 -0.999 . . . . 0.0 112.14 174.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.6 p -164.39 142.34 6.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.19 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -145.23 142.48 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.782 0.325 . . . . 0.0 111.082 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 23.2 m -95.43 99.26 11.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.022 175.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' SER . 42.4 mt -77.47 111.96 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -104.29 121.07 42.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.928 0.394 . . . . 0.0 110.248 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.86 19.05 2.05 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.951 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.9 mt -101.65 129.63 47.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -88.12 121.22 70.65 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.513 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.55 122.35 11.35 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.861 2.374 . . . . 0.0 112.437 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.32 -12.93 51.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.112 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 86.9 t -94.14 129.6 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' B' ' 52' ' ' LYS . 7.1 p -76.91 130.44 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 0.0 110.466 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . 0.449 ' HB2' ' CE2' ' B' ' 101' ' ' PHE . 87.3 m-85 -122.66 154.45 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.054 0.454 . . . . 0.0 111.33 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 13.4 mm-40 -102.8 124.54 48.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.023 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.4 143.78 17.73 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.289 -177.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -132.69 124.32 27.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -102.19 108.7 20.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.471 HG21 HG23 ' B' ' 96' ' ' VAL . 13.4 mt -100.94 106.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.305 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 5.6 p -87.7 112.97 22.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.097 0.475 . . . . 0.0 110.738 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -94.66 113.2 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.865 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -100.94 161.49 13.55 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -47.13 -43.81 21.05 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.891 0.745 . . . . 0.0 112.82 -172.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' B' ' 39' ' ' PRO . 41.0 m-85 -80.21 15.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.98 19.27 78.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.148 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.84 120.05 25.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -114.96 120.5 40.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.798 0.332 . . . . 0.0 110.305 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.96 116.82 31.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.192 176.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.471 HG23 HG21 ' B' ' 86' ' ' ILE . 44.1 t -97.22 106.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.799 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 7.0 m -93.01 108.87 20.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.59 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -88.67 132.71 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.145 0.498 . . . . 0.0 111.11 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -145.09 178.51 8.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.717 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -143.41 153.87 43.11 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' B' ' 81' ' ' TYR . 36.9 p90 -150.43 148.9 29.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.327 0.584 . . . . 0.0 111.694 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 5.1 m -155.15 -49.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.919 -1.037 . . . . 0.0 108.781 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 84.9 m -156.94 127.45 6.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.827 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 7.6 m -69.34 91.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.91 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -82.23 55.12 2.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.35 0.595 . . . . 0.0 111.605 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.7 t -91.53 142.22 27.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.718 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.5 m 57.02 63.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.163 0.506 . . . . 0.0 111.153 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.5 t -120.76 86.59 41.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.492 0.663 . . . . 0.0 110.609 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.53 69.52 6.74 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.859 2.373 . . . . 0.0 111.799 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.48 105.79 1.55 Allowed Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.19 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.7 m -70.93 89.83 0.79 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.804 0.335 . . . . 0.0 110.291 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -76.9 66.13 2.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.792 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.9 t -76.09 -23.13 54.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.98 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -87.0 56.38 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.185 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -123.53 79.6 1.71 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.588 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -105.62 63.84 0.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -81.15 71.5 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.281 0.562 . . . . 0.0 110.335 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -138.07 11.96 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.395 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.577 -0.725 . . . . 0.0 109.98 -178.595 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -71.37 -45.3 63.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -84.05 106.66 15.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -69.24 123.8 22.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.411 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.6 p -67.93 -29.46 68.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.145 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.05 105.97 31.56 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.67 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.13 -22.71 53.94 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.549 2.166 . . . . 0.0 112.933 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.04 -1.18 57.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.718 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . . . -83.02 142.27 44.35 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.293 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 13.0 Cg_exo -68.81 120.81 7.69 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.616 2.211 . . . . 0.0 111.064 173.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.23 -40.03 85.63 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.064 2.509 . . . . 0.0 112.85 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -158.06 115.54 1.8 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.329 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.0 114.28 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.323 2.015 . . . . 0.0 110.882 170.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -107.03 141.06 38.84 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.492 ' O ' ' HB3' ' B' ' 105' ' ' SER . 1.1 m -104.85 135.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-O 121.394 0.616 . . . . 0.0 111.114 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -122.41 176.64 5.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.694 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 15.9 mm-40 52.19 71.03 0.49 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.916 0.76 . . . . 0.0 112.223 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 m -82.16 116.55 26.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.453 0.644 . . . . 0.0 110.952 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -98.21 -159.82 0.76 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -37.05 80.3 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 118.487 0.585 . . . . 0.0 110.478 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 1.2 p -149.86 25.04 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.468 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.0 m -136.74 143.55 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.264 -0.272 . . . . 0.0 110.824 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' B' ' 71' ' ' THR . 21.7 pt -130.24 162.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.25 104.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 1.4 p -89.74 120.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.176 0.512 . . . . 0.0 109.841 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -117.58 130.7 56.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.004 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -125.91 126.55 44.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.13 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -112.79 108.98 18.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.795 0.331 . . . . 0.0 110.201 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 3.6 ppt_? -93.64 152.82 41.11 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 175.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.674 2.25 . . . . 0.0 111.999 178.22 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -75.8 -38.98 57.68 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.14 161.35 18.36 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m 56.25 62.5 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.268 0.556 . . . . 0.0 110.32 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -76.71 -8.56 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.787 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.85 72.48 81.92 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.658 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.15 90.32 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.266 1.977 . . . . 0.0 110.703 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 64.79 96.9 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.19 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.968 -170.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 141.37 54.03 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.408 2.739 . . . . 0.0 113.436 -173.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -76.89 107.66 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.865 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -117.12 155.66 28.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.346 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' B' ' 45' ' ' TYR . 2.5 mp -80.42 122.51 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.07 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -84.7 -37.21 21.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.033 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -157.67 145.91 19.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 66.3 m-85 -106.0 132.99 51.42 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.415 HD13 ' N ' ' B' ' 46' ' ' ILE . 2.4 mp -107.43 117.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.472 HD11 ' CE3' ' B' ' 49' ' ' TRP . 0.6 OUTLIER -96.58 122.44 39.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 98.0 mtt180 -121.31 141.17 51.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.453 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.493 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 20.9 p90 -150.76 142.42 23.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 111.33 176.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 16.7 ptm180 -129.78 127.71 22.88 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.106 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 11.2 Cg_exo -70.52 127.47 14.03 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.652 2.235 . . . . 0.0 112.192 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -65.7 -16.48 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.329 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.538 HD21 ' N ' ' B' ' 53' ' ' ASN . 0.9 OUTLIER -90.85 5.32 48.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 90.2 p -121.34 -169.05 1.78 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.23 -36.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.41 32.69 1.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.789 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -80.85 140.99 35.08 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.884 0.373 . . . . 0.0 110.67 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -91.96 123.13 35.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.296 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 55.9 mttp -82.98 134.51 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 169.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.516 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.8 mt-10 -113.5 124.73 53.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 111.357 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.19 133.94 55.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.026 175.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -101.97 117.77 35.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.105 0.479 . . . . 0.0 110.785 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.9 mp -112.77 124.31 32.03 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.125 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.92 139.9 24.61 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.696 2.264 . . . . 0.0 112.101 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.15 50.14 1.93 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.751 -174.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -163.72 15.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.744 0.307 . . . . 0.0 110.955 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.9 mt -103.17 -45.39 4.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.243 0.544 . . . . 0.0 110.103 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 67.62 17.2 9.91 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.043 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.7 p -159.84 150.51 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.346 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . 0.447 ' HB2' HG12 ' B' ' 63' ' ' ILE . 69.8 t80 -144.16 140.42 29.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.561 177.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 19.6 m -93.16 100.1 12.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.999 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 55.1 mt -80.24 109.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.305 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.7 24.49 2.82 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.507 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 21' ' ' THR . 40.2 mt -103.73 132.02 50.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 0.0 110.489 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -97.97 121.94 56.05 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.91 119.2 6.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.761 2.307 . . . . 0.0 111.697 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.13 -17.66 21.86 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.23 131.63 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -80.9 134.12 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -123.76 139.61 53.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.411 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 72.5 mm-40 -102.69 116.92 33.55 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.51 153.87 17.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 119.775 -1.203 . . . . 0.0 113.456 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 98' ' ' ARG . 72.2 mt-30 -141.17 141.13 34.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.589 0.356 . . . . 0.0 110.515 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.412 HD21 HD21 ' B' ' 47' ' ' LEU . 3.3 tm? -111.29 122.29 47.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 9.8 mt -117.71 112.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.477 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.501 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 3.3 p -91.75 124.58 35.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.866 0.365 . . . . 0.0 110.748 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.2 mm -103.26 111.62 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.733 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 79.1 mt-30 -83.44 178.44 8.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.96 0.409 . . . . 0.0 112.092 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -60.25 -43.44 96.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.811 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -94.0 16.14 15.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 0.0 111.364 -175.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.86 4.5 72.34 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.627 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.62 130.8 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' B' ' 87' ' ' SER . 73.9 mt-30 -120.33 124.79 46.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.501 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 2.4 mp0 -108.34 133.07 53.05 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.463 HG22 HG23 ' B' ' 86' ' ' ILE . 58.0 t -119.63 114.87 45.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.863 0.363 . . . . 0.0 110.648 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 14.4 t -120.62 130.03 53.98 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' B' ' 84' ' ' GLN . 34.6 mtm180 -100.71 156.04 17.56 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.831 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -142.07 163.93 31.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -123.37 137.98 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.4 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -150.45 143.63 24.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.49 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.8 t -159.64 -38.43 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.16 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 28.8 m -155.07 -47.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 26.5 m -67.31 130.86 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.254 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 20.6 m -77.49 -24.9 50.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 110.56 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.5 m -71.39 115.21 10.3 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.691 174.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 3.0 p -81.09 -20.4 41.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.83 153.16 77.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.689 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.92 6.34 5.37 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.99 2.46 . . . . 0.0 111.389 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.29 104.96 0.22 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p -61.56 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.013 0.435 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -133.65 136.67 44.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.565 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 55.4 m -73.95 145.73 44.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.347 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 60.55 74.26 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.338 0.59 . . . . 0.0 109.859 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -67.69 134.75 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -73.14 2.08 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -71.19 -15.97 62.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.954 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -86.62 141.33 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.104 -178.35 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -159.93 52.61 0.34 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.2 12.16 28.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m 59.56 41.04 19.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.907 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -80.97 103.15 10.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.055 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.2 -48.75 26.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.581 173.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.84 148.08 28.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.722 1.614 . . . . 0.0 111.491 171.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -112.32 35.42 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.435 0.636 . . . . 0.0 109.811 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 95' ' ' GLU . . . -95.06 134.95 23.91 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.977 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.29 121.82 10.68 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.856 2.371 . . . . 0.0 111.528 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.92 -41.78 72.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.748 2.965 . . . . 0.0 113.678 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -154.77 129.46 4.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.749 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.606 ' HG2' ' CD2' ' B' ' 99' ' ' PHE . 4.5 Cg_exo -78.65 117.55 4.01 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.566 2.177 . . . . 0.0 110.874 168.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -98.98 120.91 40.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.956 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.8 t -95.33 115.47 34.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -117.06 168.52 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.133 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 53.77 60.55 3.59 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.704 0.628 . . . . 0.0 111.348 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -81.33 114.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.41 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 8.5 t70 -109.49 -154.02 0.53 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' H ' ' CG ' ' A' ' 19' ' ' ASP . 15.3 m-20 -77.12 -53.53 7.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.534 HG21 ' O ' ' B' ' 75' ' ' LEU . 8.5 p -123.53 17.56 9.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -174.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.9 p -149.22 143.32 25.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 111.648 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 pt -135.17 158.34 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.83 175.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.6 t -109.6 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 171.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.58 116.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.54 0.686 . . . . 0.0 110.089 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -109.34 157.24 19.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.308 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.485 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 44.4 p90 -147.17 137.77 23.55 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -76.5 109.76 10.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 6.9 ppt_? -88.19 156.67 51.48 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.224 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 C--O 1.252 1.207 0 C-N-CA 122.895 2.397 . . . . 0.0 111.806 176.285 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -101.32 135.49 42.72 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.17 25.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.56 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.1 m -84.83 148.2 26.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.899 0.381 . . . . 0.0 110.468 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -93.03 123.18 36.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.33 142.18 34.76 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.907 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.53 105.93 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.825 2.35 . . . . 0.0 111.688 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.99 137.55 92.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.907 -172.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' B' ' 41' ' ' HIS . 59.8 Cg_endo -73.41 -5.87 17.84 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.938 2.425 . . . . 0.0 111.892 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.7 m -76.47 41.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.504 0.669 . . . . 0.0 110.564 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' B' ' 39' ' ' PRO . 16.6 t60 -142.99 85.18 1.86 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.437 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.0 mp -77.07 137.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 -173.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -82.41 -35.66 27.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.294 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -166.55 150.01 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.544 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -109.49 136.5 48.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.404 ' N ' HD13 ' B' ' 46' ' ' ILE . 3.3 mp -114.17 122.04 67.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.021 0.438 . . . . 0.0 110.062 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.99 116.76 29.78 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 95.5 mtt180 -112.72 137.71 50.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.342 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 31.3 p90 -148.79 146.62 28.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -141.67 145.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.671 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.46 116.15 3.6 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.569 2.179 . . . . 0.0 111.403 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.47 ' HB3' HG22 ' B' ' 80' ' ' VAL . 10.1 tmtt? -62.07 -38.92 90.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.899 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.414 HD21 ' C ' ' B' ' 53' ' ' ASN . 0.4 OUTLIER -83.57 6.67 19.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.731 -176.018 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -134.41 164.9 26.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.424 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.2 p -87.71 36.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 122.381 1.086 . . . . 0.0 109.555 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.23 160.35 53.45 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.663 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -102.71 158.03 16.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.824 0.345 . . . . 0.0 110.559 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -73.57 114.67 12.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 60.0 mttp -83.4 141.79 31.47 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -114.34 123.97 50.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.009 0.433 . . . . 0.0 111.223 -176.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.54 129.48 56.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.687 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 29.2 m -98.75 115.59 29.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.304 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.63 130.51 22.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.54 141.9 25.08 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.02 2.48 . . . . 0.0 112.396 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.62 47.65 2.14 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.188 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -156.73 22.09 0.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.285 0.564 . . . . 0.0 109.676 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -122.22 160.46 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.43 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.9 p-10 -133.44 17.68 4.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.02 0.438 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.4 t -152.42 136.98 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.949 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -135.31 144.22 46.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.949 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.1 m -104.71 116.46 32.07 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 24.9 mt -90.4 123.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -122.02 143.04 49.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.761 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.36 21.85 14.11 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.916 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.534 ' O ' HG21 ' A' ' 21' ' ' THR . 95.9 mt -84.7 165.46 17.86 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -111.69 125.92 29.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.613 0.244 . . . . 0.0 110.828 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.83 124.19 12.38 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.795 2.33 . . . . 0.0 112.499 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.55 -16.99 51.43 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.625 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.11 126.03 42.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' B' ' 52' ' ' LYS . 19.6 m -82.72 138.92 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -117.23 150.02 39.45 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.071 0.462 . . . . 0.0 111.776 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 32.2 mt-10 -103.36 126.56 50.58 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' B' ' 48' ' ' ARG . . . -130.51 156.46 21.63 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.953 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -141.09 129.38 22.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -96.52 109.1 21.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.465 HG21 HG21 ' B' ' 96' ' ' VAL . 24.5 mt -105.61 115.11 46.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.715 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.435 ' HB3' HG12 ' B' ' 42' ' ' ILE . 3.6 m -101.81 122.9 44.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.412 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.8 mm -96.23 114.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.425 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . 0.484 ' OE1' ' HB2' ' B' ' 93' ' ' HIS . 74.4 mt-30 -83.04 172.99 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.61 0.243 . . . . 0.0 111.24 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.71 -41.1 81.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.113 0.482 . . . . 0.0 110.42 175.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -78.48 7.39 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.803 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.52 5.26 87.96 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.577 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . 0.484 ' HB2' ' OE1' ' B' ' 89' ' ' GLN . 54.7 m170 -69.35 136.77 52.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -106.04 119.27 38.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.918 0.389 . . . . 0.0 110.378 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 13.6 mm-40 -102.84 113.39 26.78 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 175.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.465 HG21 HG21 ' B' ' 86' ' ' ILE . 40.2 t -117.97 113.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.09 0.472 . . . . 0.0 111.743 -172.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 44.8 m -106.04 115.69 30.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.812 173.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -86.74 150.57 24.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.376 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.606 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 15.3 p90 -160.08 177.83 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.157 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -136.72 157.98 45.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.07 154.0 26.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.616 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -127.83 118.87 24.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.487 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.43 HG23 ' HB3' ' B' ' 75' ' ' LEU . 8.9 t -92.82 122.81 35.59 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -177.35 146.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.739 -176.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -122.4 -15.68 7.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.401 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -77.88 -13.71 59.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 32.6 t -110.85 123.91 51.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 45.1 m -128.17 116.02 20.22 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.294 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.64 52.93 4.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.828 2.352 . . . . 0.0 113.028 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.38 91.61 1.73 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.819 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.6 t -76.22 103.22 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.318 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -147.77 44.77 1.1 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.348 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 9.3 p -60.01 -35.01 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -129.53 -54.21 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.996 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -140.07 147.49 40.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.612 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -159.28 117.44 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.599 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -156.11 178.84 9.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.744 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 66.18 40.3 3.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.383 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.036 177.693 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -91.71 -42.69 10.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.153 0.501 . . . . 0.0 109.933 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -107.22 117.26 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.6 m -88.29 124.26 33.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.951 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -72.74 -34.8 67.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 0.0 110.955 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.36 124.41 75.9 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.997 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.68 47.89 2.59 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.651 2.234 . . . . 0.0 111.592 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -76.43 -29.45 57.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.104 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.58 144.42 31.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.723 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.28 141.18 97.45 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.781 2.321 . . . . 0.0 111.593 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -49.67 -69.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.039 2.492 . . . . 0.0 112.569 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.1 p30 -169.95 138.82 1.52 Allowed Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.778 175.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HG2' ' CE1' ' B' ' 99' ' ' PHE . 11.6 Cg_exo -73.59 115.02 4.19 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.093 1.862 . . . . 0.0 110.866 170.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -99.88 116.29 31.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.79 142.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 121.252 0.549 . . . . 0.0 111.117 -176.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -102.32 137.2 40.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.933 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -84.33 74.13 10.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.2 t -71.68 -57.1 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB2' ' OG ' ' A' ' 22' ' ' SER . 5.8 m-20 -118.4 -178.53 3.54 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.646 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.72 -49.4 25.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.584 0.231 . . . . 0.0 111.015 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.692 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 2.6 p -106.5 19.62 20.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -175.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 19' ' ' ASP . 36.6 p -150.21 133.9 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 111.25 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 pt -117.11 158.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.651 177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.43 106.13 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -98.69 115.5 39.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.143 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -123.21 142.11 51.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.54 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.558 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 36.1 p90 -131.42 143.94 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.071 0.462 . . . . 0.0 110.881 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 m -86.15 116.26 24.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.913 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 6.4 ppt_? -85.49 151.58 56.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.682 -177.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 122.934 2.422 . . . . 0.0 111.792 175.418 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.649 0.262 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -88.76 79.7 7.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.35 73.13 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.56 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.3 p -156.78 71.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.969 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -126.75 165.54 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.447 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.3 111.24 42.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -82.2 150.21 15.51 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.815 2.343 . . . . 0.0 112.67 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.426 ' HB3' ' ND1' ' B' ' 41' ' ' HIS . 15.6 mm100 -118.79 75.26 13.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.013 174.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.55 -66.14 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.258 3.305 . . . . 0.0 115.077 -167.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 49.1 m -111.34 97.61 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.113 0.482 . . . . 0.0 111.185 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' B' ' 38' ' ' GLN . 39.4 m80 -138.96 104.03 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.489 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.433 ' N ' HD12 ' B' ' 42' ' ' ILE . 3.1 mp -89.87 130.67 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.601 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -84.14 -33.4 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.874 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -163.39 146.47 10.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.678 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.35 127.55 53.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.416 HD13 ' N ' ' B' ' 46' ' ' ILE . 3.5 mp -105.6 116.89 50.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.925 0.393 . . . . 0.0 110.047 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.62 112.68 24.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.523 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 88.2 mtt180 -114.84 134.38 55.18 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.573 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 28.3 p90 -139.3 144.63 38.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.162 0.506 . . . . 0.0 110.906 177.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.418 ' HB2' ' CD2' ' B' ' 58' ' ' TRP . 5.3 tmm_? -136.53 122.23 13.38 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.444 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 17.7 Cg_exo -65.87 129.18 21.43 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.775 2.317 . . . . 0.0 112.049 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.529 ' HD3' ' CG ' ' B' ' 82' ' ' GLU . 7.3 mmmm -70.52 -25.73 63.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.526 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.57 5.18 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.466 . . . . 0.0 110.719 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 29.6 m -132.72 150.81 52.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.969 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 m -120.07 26.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.059 0.456 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.31 -118.42 1.45 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.176 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -115.6 158.91 21.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.017 0.437 . . . . 0.0 111.527 -173.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.418 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 36.2 m95 -80.95 139.59 35.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.032 175.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 66.7 mttm -95.58 137.27 34.87 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.523 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 34.2 mt-10 -117.46 141.17 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.444 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.24 133.77 43.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.558 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -107.75 117.08 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.072 0.463 . . . . 0.0 110.993 -176.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.592 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 5.2 mp -109.6 132.18 21.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.13 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.16 144.82 36.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.166 2.577 . . . . 0.0 112.39 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.36 64.31 0.78 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -169.56 -24.1 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.369 0.668 . . . . 0.0 109.411 -172.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.592 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 39.1 mt -103.99 140.03 38.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.598 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.558 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.9 p-10 -124.35 18.95 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.22 0.533 . . . . 0.0 110.563 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 33.7 t -141.61 133.06 26.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.262 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -140.17 136.6 33.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.015 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 42.8 m -100.18 105.29 16.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.147 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 51.3 mt -79.17 113.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.004 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -100.14 143.05 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.426 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.85 7.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.692 ' O ' ' HA ' ' A' ' 21' ' ' THR . 34.8 mt -103.78 136.2 43.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 0.0 110.398 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -81.43 126.01 77.36 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.73 124.21 11.65 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.636 2.224 . . . . 0.0 112.323 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . 0.427 ' H ' HG23 ' B' ' 102' ' ' THR . . . 105.75 -25.65 23.55 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.319 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.5 t -74.23 140.06 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 t -85.6 136.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.841 0.353 . . . . 0.0 110.209 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -125.33 144.99 50.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.475 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.529 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 78.6 mm-40 -101.67 115.99 31.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' B' ' 48' ' ' ARG . . . -116.97 145.91 18.77 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.761 -175.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.44 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 45.5 mt-30 -136.27 128.6 30.12 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -100.1 104.95 16.53 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.463 HG21 HG22 ' B' ' 96' ' ' VAL . 4.0 mp -97.3 105.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -93.82 118.12 31.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.75 112.49 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -83.79 156.2 22.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.878 0.37 . . . . 0.0 110.625 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' B' ' 38' ' ' GLN . 13.0 pt20 -68.48 -9.84 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.614 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -92.67 -2.97 55.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.555 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.96 5.24 68.33 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.372 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 119.88 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.46 119.38 38.39 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -112.52 120.66 42.37 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.463 HG22 HG21 ' B' ' 86' ' ' ILE . 41.9 t -115.52 108.68 25.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 -176.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 79.7 m -97.22 116.52 29.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.345 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.44 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 57.4 mtt180 -89.75 139.97 30.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.78 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.536 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 17.2 p90 -155.63 -179.52 8.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.363 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -142.51 158.76 43.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -158.26 159.96 36.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.427 HG23 ' H ' ' B' ' 78' ' ' GLY . 4.1 m 67.77 14.3 9.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.313 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 91.5 m -68.03 116.8 9.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.37 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.7 t -76.51 159.17 30.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 171.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 13.5 m 60.86 70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -175.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.7 p -62.51 91.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.997 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' B' ' 108' ' ' THR . 47.5 m -80.67 -39.91 26.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.211 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' B' ' 107' ' ' SER . 9.3 t 176.88 126.93 0.18 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.508 176.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -76.37 -8.53 18.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.742 2.294 . . . . 0.0 112.337 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.38 -155.17 26.28 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.7 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.8 m -66.48 -19.3 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.734 0.302 . . . . 0.0 111.248 -176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -66.4 -16.69 64.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.35 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 23.1 t -124.72 92.33 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.401 . . . . 0.0 110.081 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -132.51 26.78 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' B' ' 116' ' ' HIS . 90.6 m-70 -104.64 -63.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' B' ' 115' ' ' HIS . 62.9 m80 71.83 152.46 0.12 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.654 0.74 . . . . 0.0 112.432 177.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -87.21 86.47 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.317 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.52 -24.3 56.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.245 0.847 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.245 175.199 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 m -80.71 75.39 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.483 0.659 . . . . 0.0 110.837 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.98 -37.94 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.537 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.8 m -71.39 95.79 1.39 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.791 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p -93.51 -8.62 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.24 0.543 . . . . 0.0 110.625 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.39 149.79 50.13 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.17 44.44 1.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.613 2.208 . . . . 0.0 113.541 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -96.82 18.55 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.697 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . . . -94.27 129.43 37.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.187 175.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 24.3 Cg_exo -63.72 125.72 16.02 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.619 2.213 . . . . 0.0 112.218 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 28' ' ' SER . 58.0 Cg_exo -55.1 162.9 4.89 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.315 2.677 . . . . 0.0 112.412 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.34 115.79 6.69 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.401 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.56 141.79 92.64 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.021 2.481 . . . . 0.0 112.291 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -99.4 131.99 45.04 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.365 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.3 t -105.3 110.67 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.403 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.34 168.44 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 52.02 62.16 2.84 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 124.156 0.91 . . . . 0.0 111.431 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.02 121.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.447 0.641 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -97.31 -166.96 1.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.336 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.9 -40.73 87.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.661 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 6.8 p -138.79 23.64 2.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 3.8 p -152.4 153.86 34.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.751 0.31 . . . . 0.0 111.817 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.634 HD11 HD12 ' B' ' 72' ' ' ILE . 23.6 pt -139.48 167.48 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.246 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -111.32 104.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.71 119.43 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.214 0.53 . . . . 0.0 109.655 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -117.16 135.47 53.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.398 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -127.98 151.66 48.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.976 0.417 . . . . 0.0 110.831 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.596 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 16.1 m -102.39 114.22 28.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 6.3 ppt_? -90.74 146.4 33.99 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 122.753 2.302 . . . . 0.0 112.013 179.295 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' B' ' 32' ' ' ARG . 2.8 mmp_? 59.47 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.605 0.566 . . . . 0.0 111.912 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.1 -60.33 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.512 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m 63.96 32.47 13.08 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.017 0.527 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -81.52 128.29 33.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.144 0.497 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -169.7 129.68 0.93 Allowed Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.568 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.41 72.92 3.46 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.673 2.248 . . . . 0.0 111.632 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -66.15 121.16 75.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.294 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.3 44.8 1.68 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.949 2.433 . . . . 0.0 112.46 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.472 ' HA ' ' OE1' ' B' ' 89' ' ' GLN . 46.0 m -154.65 70.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -132.64 107.52 8.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.584 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' B' ' 45' ' ' TYR . 3.9 mp -86.69 130.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.426 . . . . 0.0 110.652 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -89.83 -35.47 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -162.52 145.37 11.14 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.742 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HA2' ' B' ' 65' ' ' GLY . 49.1 m-85 -105.39 126.27 51.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.415 HD12 ' N ' ' B' ' 46' ' ' ILE . 3.2 mp -102.84 118.53 49.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.405 ' CD2' HD23 ' B' ' 85' ' ' LEU . 0.3 OUTLIER -96.65 113.69 25.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.57 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 93.6 mtt180 -113.32 125.99 54.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.447 ' NE1' ' HD2' ' B' ' 59' ' ' LYS . 29.3 p90 -134.59 145.21 48.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.056 0.455 . . . . 0.0 110.877 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -151.67 132.27 7.4 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.518 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.493 ' HB2' ' OD1' ' B' ' 53' ' ' ASN . 42.5 Cg_endo -68.39 145.26 64.66 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.243 1.962 . . . . 0.0 111.781 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.506 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.493 ' OD1' ' HB2' ' B' ' 51' ' ' PRO . 3.7 p-10 -81.08 -4.33 54.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.495 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 26.3 m -126.17 126.86 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.532 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.06 9.64 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.718 0.771 . . . . 0.0 109.789 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.33 -119.83 0.83 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 113.646 -176.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -86.2 146.16 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 112.399 -170.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -92.23 144.39 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 63.1 mttm -85.29 130.73 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.57 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 44.1 mt-10 -115.46 128.29 55.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.025 0.44 . . . . 0.0 111.724 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.46 127.84 41.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.717 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.0 m -98.88 125.02 44.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.232 0.539 . . . . 0.0 111.069 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.95 131.93 21.7 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.88 139.93 24.34 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.05 2.5 . . . . 0.0 112.504 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.456 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -73.71 52.8 2.0 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.748 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -161.05 14.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.158 0.504 . . . . 0.0 110.038 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 mt -112.95 156.72 22.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -124.99 2.79 8.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -149.94 150.14 31.42 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.019 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -142.0 137.34 31.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.381 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 47.4 m -93.03 99.72 12.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.031 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.634 HD12 HD11 ' A' ' 23' ' ' ILE . 50.4 mt -76.27 116.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.484 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -103.66 132.59 49.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.01 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.8 29.34 3.12 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.236 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 21' ' ' THR . 94.2 mt -103.61 123.64 47.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.601 0.239 . . . . 0.0 110.366 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -73.68 130.92 82.8 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.888 0.375 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.31 119.42 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.846 2.364 . . . . 0.0 112.116 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.82 41.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.162 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.4 t -121.42 128.07 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.527 ' HA ' ' HB ' ' B' ' 102' ' ' THR . 41.8 t -74.26 130.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.027 0.442 . . . . 0.0 110.688 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.73 151.11 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 34.5 mt-10 -102.09 137.16 40.73 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 169.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.72 143.53 14.7 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.622 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -134.68 122.88 22.85 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' B' ' 47' ' ' LEU . 3.3 tm? -102.09 106.52 17.41 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 174.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.419 HG23 HG22 ' B' ' 96' ' ' VAL . 3.9 mp -102.17 108.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 110.117 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -90.04 111.9 23.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.326 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.32 105.24 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' B' ' 40' ' ' SER . 47.0 mt-30 -85.06 150.93 24.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.561 . . . . 0.0 110.823 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.31 -25.5 15.15 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.543 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -85.27 7.8 20.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.017 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.6 15.05 80.39 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.89 121.53 32.09 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -106.75 122.25 45.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.018 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -115.1 117.88 31.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.158 173.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.419 HG22 HG23 ' B' ' 86' ' ' ILE . 51.7 t -105.1 113.45 42.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.391 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 30.4 m -101.63 110.62 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.952 0.406 . . . . 0.0 110.079 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 98' ' ' ARG . 19.7 mtp180 -89.44 128.35 35.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.847 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -136.33 178.47 7.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.014 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.04 158.37 44.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.912 0.387 . . . . 0.0 111.198 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -135.46 149.62 49.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.348 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.527 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 2.9 m 70.27 31.94 2.98 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.796 0.808 . . . . 0.0 109.914 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 11.1 p -108.91 -36.38 6.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.084 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.5 m -80.16 75.32 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.368 0.604 . . . . 0.0 110.149 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 7.9 m -98.48 95.69 7.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -78.72 57.46 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.621 0.724 . . . . 0.0 110.708 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 11.4 m -88.07 55.97 3.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.584 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 18.8 m -71.31 116.83 51.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.317 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.94 54.89 5.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.928 2.418 . . . . 0.0 112.961 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.65 62.26 6.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.192 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.1 t -83.95 80.39 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -83.82 109.08 17.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.809 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 23.6 m -105.67 -12.1 16.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.934 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -77.98 109.54 12.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.042 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -147.22 27.88 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.488 0.661 . . . . 0.0 109.829 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -135.1 120.2 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.278 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -81.68 121.07 25.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -78.48 163.02 25.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.16 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 82.2 t60 . . . . . 0 C--O 1.248 0.979 0 O-C-N 123.567 0.542 . . . . 0.0 110.125 -178.73 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -74.47 -15.96 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.01 0.434 . . . . 0.0 110.903 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.05 79.71 8.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -119.43 63.63 0.8 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.956 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.6 t -57.53 135.53 56.64 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.63 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.06 71.56 1.19 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.23 -12.91 25.66 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.796 2.331 . . . . 0.0 111.607 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -94.62 38.1 1.11 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.797 0.808 . . . . 0.0 109.82 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.04 146.4 34.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.642 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.42 124.96 15.21 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.863 2.375 . . . . 0.0 112.361 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 28' ' ' SER . 85.5 Cg_exo -49.41 147.43 12.41 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.31 2.673 . . . . 0.0 112.338 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.92 117.69 3.99 Favored Pre-proline 0 N--CA 1.465 0.321 0 CA-C-N 115.241 -0.891 . . . . 0.0 112.392 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.91 147.55 73.01 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.365 2.71 . . . . 0.0 112.785 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -109.67 137.29 47.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' A' ' 23' ' ' ILE . 74.8 t -106.21 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -120.41 162.82 18.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 51.7 79.63 0.1 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.193 0.933 . . . . 0.0 112.176 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.15 121.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.235 0.541 . . . . 0.0 110.525 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -86.81 -158.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.664 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -71.01 -34.46 71.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 2.6 p -148.27 29.1 0.88 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 7.3 p -152.01 157.35 41.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.157 -0.339 . . . . 0.0 111.609 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.576 HD11 HD12 ' B' ' 72' ' ' ILE . 29.6 pt -136.93 164.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.55 105.75 19.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 169.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -101.7 121.28 52.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.061 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -120.73 156.04 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.968 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -148.63 141.9 25.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.564 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 15.5 m -96.02 133.04 40.74 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HD3' ' H ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -89.44 145.67 34.34 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.154 177.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.247 0.97 0 C-N-CA 122.582 2.188 . . . . 0.0 112.355 179.788 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 32' ' ' ARG . 45.6 ttm180 -128.07 81.19 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.121 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.51 91.36 0.11 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.185 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p -82.39 -25.76 33.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.138 0.494 . . . . 0.0 110.127 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -86.05 -38.08 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.074 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.466 ' HB1' ' HG3' ' B' ' 39' ' ' PRO . . . -126.53 107.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.954 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.74 71.58 4.01 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.141 2.561 . . . . 0.0 112.576 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.441 ' HB3' ' HB2' ' B' ' 41' ' ' HIS . 69.1 mt-30 61.43 82.88 0.21 Allowed Pre-proline 0 N--CA 1.465 0.323 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.466 ' HG3' ' HB1' ' B' ' 36' ' ' ALA . 31.9 Cg_exo -57.08 -64.41 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.088 2.525 . . . . 0.0 112.752 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.641 ' HA ' ' OE1' ' B' ' 89' ' ' GLN . 31.5 p -89.6 52.57 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 0.0 111.042 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.441 ' HB2' ' HB3' ' B' ' 38' ' ' GLN . 14.1 t-80 -95.67 108.78 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.838 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.468 HG12 ' HB2' ' B' ' 87' ' ' SER . 3.6 mp -81.85 127.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.695 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.8 m -80.19 -39.58 28.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.577 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -156.29 140.65 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 82.3 m-85 -101.32 129.76 47.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' B' ' 61' ' ' ALA . 2.7 mp -107.8 117.07 52.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.067 0.46 . . . . 0.0 109.787 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 113.15 24.74 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 93.0 mtt180 -113.22 118.91 35.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.483 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.3 p90 -125.17 145.6 49.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 110.651 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -149.72 127.28 5.62 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.696 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.49 ' HG3' ' CE1' ' B' ' 81' ' ' TYR . 32.8 Cg_exo -60.25 142.84 99.16 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.333 2.022 . . . . 0.0 111.291 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -58.75 -28.86 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.658 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -80.99 -11.35 59.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 35.6 m -106.94 133.26 51.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.91 9.92 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.486 0.66 . . . . 0.0 110.028 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.8 -77.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.7 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -150.06 161.1 43.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.038 0.447 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -89.33 130.54 35.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.74 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 95.7 mttt -74.54 136.35 42.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.52 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 41.3 mt-10 -113.79 142.29 46.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 111.512 -173.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' B' ' 46' ' ' ILE . . . -136.15 134.72 38.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.544 172.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -107.2 111.76 24.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.98 123.68 35.54 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.991 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -48.08 142.24 16.16 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.871 2.381 . . . . 0.0 112.356 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -75.82 48.84 2.38 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.873 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -164.02 22.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -113.19 -52.36 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.31 39.25 22.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.151 0.501 . . . . 0.0 111.147 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -168.64 133.42 1.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.115 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -146.04 144.44 30.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.86 0.362 . . . . 0.0 110.187 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 54.8 m -107.41 99.04 8.59 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.113 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.576 HD12 HD11 ' A' ' 23' ' ' ILE . 36.4 mt -74.79 122.87 29.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.972 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -108.94 148.21 31.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.813 0.34 . . . . 0.0 110.208 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.45 20.84 23.8 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.805 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 21' ' ' THR . 87.7 mt -92.73 125.34 37.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.347 . . . . 0.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -85.6 122.5 73.28 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.302 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.01 136.96 36.41 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.712 2.275 . . . . 0.0 112.267 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.69 2.33 79.06 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.071 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -105.92 139.29 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.8 t -83.97 112.49 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' B' ' 51' ' ' PRO . 57.9 m-85 -103.07 145.08 30.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.008 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 31.9 mt-10 -102.56 132.93 48.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.63 144.87 16.28 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.715 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.48 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 39.5 mt-30 -132.98 125.89 30.75 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -97.69 111.04 23.48 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.48 HG23 HG22 ' B' ' 96' ' ' VAL . 15.2 mt -108.07 105.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.366 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.468 ' HB2' HG12 ' B' ' 42' ' ' ILE . 24.9 p -92.33 117.61 30.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 15.4 mm -95.51 107.39 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.641 ' OE1' ' HA ' ' B' ' 40' ' ' SER . 43.9 mt-30 -85.21 158.49 20.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.871 0.367 . . . . 0.0 110.279 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -67.74 -3.76 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.121 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -105.28 17.53 23.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.0 110.729 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.91 11.89 84.35 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.968 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.93 125.46 31.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -111.93 118.47 35.58 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.4 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 1.4 mp0 -108.68 119.98 41.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.707 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.48 HG22 HG23 ' B' ' 86' ' ' ILE . 40.8 t -110.12 107.15 22.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 19.0 m -98.86 112.99 24.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.48 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 71.7 mtt180 -93.88 136.33 34.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.21 0.529 . . . . 0.0 111.45 -174.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -150.18 -179.26 7.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.992 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.47 158.89 43.33 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.15 174.52 15.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.869 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.3 m 74.56 -37.84 0.37 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.252 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 10.2 t -72.79 -24.75 60.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 19.9 m -79.16 82.5 5.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.206 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 9.5 t -154.5 53.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.037 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 21.2 p -89.83 32.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.4 m -81.77 61.27 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.59 . . . . 0.0 110.675 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 31.1 m -74.18 -51.05 4.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.171 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 108' ' ' THR . 34.0 Cg_endo -63.56 117.24 4.21 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.073 1.849 . . . . 0.0 112.463 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.76 69.93 0.48 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.232 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -77.53 -7.73 56.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 110.97 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -132.4 146.76 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.252 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 9.8 p -99.19 112.25 24.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.66 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -97.01 139.3 33.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.48 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -96.28 147.23 24.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.567 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -96.29 83.64 3.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.642 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.14 -32.03 13.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.246 -179.4 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -146.23 -58.87 0.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.301 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -168.62 -69.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.024 0.44 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -119.06 2.04 11.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.456 0.646 . . . . 0.0 110.51 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 98.8 m -141.9 132.0 24.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.995 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.91 95.35 10.61 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.2 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 5' ' ' THR . 6.6 Cg_exo -73.14 154.19 52.03 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.796 2.331 . . . . 0.0 111.842 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -101.67 -1.87 31.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.513 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -100.56 128.05 31.12 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.079 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.78 126.3 21.34 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.584 2.189 . . . . 0.0 111.435 174.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.33 175.25 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.138 2.558 . . . . 0.0 112.631 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -44.17 114.91 2.02 Favored Pre-proline 0 N--CA 1.47 0.538 0 O-C-N 123.755 0.659 . . . . 0.0 112.348 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.28 115.7 4.0 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.882 2.388 . . . . 0.0 111.52 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -105.02 137.82 42.17 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' HB ' HD12 ' A' ' 23' ' ' ILE . 1.2 m -97.74 143.2 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 121.303 0.573 . . . . 0.0 111.461 -174.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -124.9 168.08 13.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.656 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 54.45 75.32 0.29 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.155 0.909 . . . . 0.0 111.886 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG21 ' O ' ' B' ' 103' ' ' THR . 54.2 t -85.66 123.32 39.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -96.92 -160.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.52 -49.5 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.61 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 0.8 OUTLIER -146.04 37.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.75 -179.16 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 13.7 p -153.8 153.36 32.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 0.0 111.253 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.563 HD11 HD12 ' B' ' 72' ' ' ILE . 28.7 pt -135.74 166.73 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.879 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.0 105.21 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' B' ' 69' ' ' SER . 1.5 p -90.04 124.16 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.072 0.463 . . . . 0.0 110.115 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -122.77 130.04 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.576 -173.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 9.4 p90 -109.68 145.94 35.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.177 0.513 . . . . 0.0 110.609 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -80.96 158.98 25.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.171 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -85.39 129.14 56.53 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.605 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--O 1.245 0.874 0 C-N-CA 122.598 2.199 . . . . 0.0 111.816 176.367 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.533 0.206 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -110.69 111.34 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.37 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.45 -91.56 1.45 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.0 t -93.01 84.19 4.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -82.33 -48.96 10.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.2 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.24 112.62 14.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.989 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.98 150.69 10.98 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.658 2.239 . . . . 0.0 111.956 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.28 113.58 63.19 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.29 -58.16 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.81 2.34 . . . . 0.0 112.516 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -65.09 -63.99 0.97 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 90' ' ' GLN . 64.8 t60 45.23 76.13 0.1 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.667 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' B' ' 45' ' ' TYR . 3.5 mp -68.2 116.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 176.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -80.55 -32.41 36.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.633 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -161.49 150.87 16.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.588 ' HB3' HD21 ' B' ' 85' ' ' LEU . 35.7 m-85 -110.96 125.33 53.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.44 HD12 ' N ' ' B' ' 46' ' ' ILE . 3.4 mp -99.18 118.17 45.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.465 HD23 HD23 ' B' ' 85' ' ' LEU . 0.4 OUTLIER -101.86 114.56 28.75 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.8 mtt180 -115.8 132.06 56.75 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 29.0 p90 -134.72 147.48 50.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.13 0.49 . . . . 0.0 110.922 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -147.71 138.9 13.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.874 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.29 117.28 3.75 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.474 2.116 . . . . 0.0 111.065 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.596 ' HB3' HG13 ' B' ' 80' ' ' VAL . 55.4 tptt -60.92 -28.07 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.498 -171.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -83.46 -6.6 59.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 110.782 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -122.25 140.53 52.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.085 0.469 . . . . 0.0 111.629 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.6 31.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.118 0.961 . . . . 0.0 109.744 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.76 -170.09 24.7 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.917 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -76.34 143.27 40.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 0.0 110.852 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -78.43 133.86 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.023 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 26.7 mtpp -90.26 129.12 36.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.476 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 24.6 mt-10 -114.38 133.53 55.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.015 0.436 . . . . 0.0 111.732 -171.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.651 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 27.9 m -118.67 120.9 38.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.092 0.472 . . . . 0.0 110.762 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.408 ' N ' HD12 ' B' ' 63' ' ' ILE . 4.5 mp -110.11 131.36 22.03 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.95 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.59 140.6 36.02 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.824 2.349 . . . . 0.0 111.929 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.519 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.42 47.5 1.73 Allowed Glycine 0 CA--C 1.519 0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.895 -173.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -157.39 19.0 0.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 110.192 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 75.1 mt -117.39 151.47 36.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.588 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 80.7 m-20 -121.39 15.01 11.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 -176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 12.6 p -156.61 143.13 18.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.687 0.28 . . . . 0.0 111.19 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -138.61 142.66 39.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.818 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.5 m -95.76 99.66 11.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.248 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.563 HD12 HD11 ' A' ' 23' ' ' ILE . 66.0 mt -79.89 120.83 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.101 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -109.99 132.52 54.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.157 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.98 20.79 5.54 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.515 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 21' ' ' THR . 52.3 mt -105.01 141.48 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.892 0.346 . . . . 0.0 110.861 177.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -101.18 121.26 52.58 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.71 118.3 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.78 2.32 . . . . 0.0 111.682 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.63 -24.83 10.05 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.81 133.61 32.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' B' ' 52' ' ' LYS . 3.2 p -82.33 130.19 36.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 111.089 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -125.65 152.52 45.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.963 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.584 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 39.1 mt-10 -102.26 137.17 40.86 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.63 144.21 15.82 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.769 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.475 ' CG ' ' HB2' ' B' ' 48' ' ' ARG . 10.4 pt20 -137.1 132.42 34.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.871 0.367 . . . . 0.0 110.473 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.1 tm? -107.38 107.59 18.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.265 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.414 HG13 HG13 ' B' ' 96' ' ' VAL . 3.8 mp -100.48 115.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.84 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.1 m -97.23 127.43 43.19 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.663 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 50.9 mm -100.8 112.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.042 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -86.05 -179.7 6.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.55 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' B' ' 41' ' ' HIS . 64.2 tt0 -65.73 -41.71 91.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.547 176.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.71 8.63 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.512 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.3 7.17 86.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.982 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -66.57 120.47 13.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -99.01 119.4 37.72 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 12.3 mm-40 -111.51 114.57 27.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.595 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.414 HG13 HG13 ' B' ' 86' ' ' ILE . 36.7 t -107.6 107.65 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.023 0.44 . . . . 0.0 110.66 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.9 m -102.51 117.97 35.86 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -94.34 152.14 18.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.146 0.498 . . . . 0.0 111.64 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -151.94 168.7 24.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.369 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.98 153.22 49.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 80' ' ' VAL . 61.4 t80 -128.8 140.28 51.79 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.2 m -131.03 -59.9 0.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 18' ' ' VAL . 28.7 m -153.04 -67.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.244 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 41.0 m -160.28 86.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -91.77 52.19 1.98 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.03 0.443 . . . . 0.0 111.127 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 23.5 m -141.63 85.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.031 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -72.67 84.42 1.17 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.278 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 22.6 p -68.8 123.74 88.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.797 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.5 132.74 36.85 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.39 2.06 . . . . 0.0 111.609 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.75 69.2 2.42 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.281 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -146.91 106.46 3.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.035 0.445 . . . . 0.0 110.029 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -80.25 61.91 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.564 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.4 t -155.37 54.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.888 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -88.83 73.91 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.239 0.543 . . . . 0.0 111.326 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -117.37 89.46 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.579 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 m80 59.15 40.19 22.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.339 -174.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -120.48 76.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.322 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -107.9 96.23 6.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.04 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.225 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -77.21 120.52 22.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.697 0.284 . . . . 0.0 110.866 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.35 72.76 8.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.941 0.401 . . . . 0.0 109.927 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.2 m -93.27 -40.27 10.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -79.01 75.13 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.61 114.65 51.46 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.93 106.91 2.01 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.527 2.151 . . . . 0.0 112.735 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' OE2' ' B' ' 95' ' ' GLU . 11.9 m-20 -87.21 -23.42 24.77 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -96.32 129.16 34.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.462 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.49 130.17 21.21 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.237 2.624 . . . . 0.0 112.474 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.2 -66.9 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.767 2.978 . . . . 0.0 114.231 -173.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -152.79 116.78 2.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.97 115.69 3.75 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.286 1.991 . . . . 0.0 111.122 175.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.8 p -98.97 135.12 40.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 23' ' ' ILE . 60.0 t -108.26 115.76 49.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -94.26 120.66 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 172.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -97.42 79.35 2.76 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.682 0.753 . . . . 0.0 110.295 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -99.9 9.42 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.473 -177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.54 -174.63 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.45 -54.17 5.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.887 0.375 . . . . 0.0 110.504 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.119 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -130.13 141.33 50.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.152 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 HD12 ' B' ' 72' ' ' ILE . 14.7 pt -126.81 166.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.582 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.06 105.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.75 120.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.931 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 26' ' ' ARG . 48.5 mtt-85 -115.17 149.25 37.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.42 -176.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 12.5 p90 -135.58 124.38 23.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.152 0.501 . . . . 0.0 110.721 178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.1 t -64.1 143.04 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.257 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' A' ' 29' ' ' ARG . 9.1 mpt_? -64.75 129.9 94.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.547 2.831 . . . . 0.0 112.352 175.724 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 63.86 50.32 2.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.664 0.745 . . . . 0.0 109.79 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.61 176.25 21.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.579 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.8 t -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.194 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -145.15 140.24 27.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.4 100.15 9.45 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.24 105.88 0.93 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.616 2.211 . . . . 0.0 112.058 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.502 ' OE1' ' HD2' ' B' ' 39' ' ' PRO . 5.8 tp-100 -84.51 122.03 75.03 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.801 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.502 ' HD2' ' OE1' ' B' ' 38' ' ' GLN . 52.4 Cg_exo -55.6 103.24 0.1 Allowed 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 111.183 174.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.5 p -166.29 -163.06 0.57 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.861 -174.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 59.29 67.7 0.88 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.268 0.556 . . . . 0.0 110.077 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.433 ' O ' ' HA3' ' B' ' 65' ' ' GLY . 2.6 mp -68.57 124.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.727 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.6 t -75.87 -34.59 60.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.466 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -162.92 147.84 11.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.437 ' HB3' HD21 ' B' ' 85' ' ' LEU . 98.0 m-85 -110.11 125.17 52.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.495 HG22 ' HG3' ' B' ' 48' ' ' ARG . 3.4 mp -102.48 119.1 50.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.741 0.305 . . . . 0.0 110.383 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.522 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -100.56 111.55 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.043 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.495 ' HG3' HG22 ' B' ' 46' ' ' ILE . 22.1 mtm180 -124.08 119.01 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.522 ' CE3' HD12 ' B' ' 47' ' ' LEU . 18.9 p90 -128.38 145.87 50.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.256 0.55 . . . . 0.0 111.125 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -139.59 116.83 8.47 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.18 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.47 136.27 73.05 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.21 1.94 . . . . 0.0 111.25 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -62.68 -26.47 68.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.158 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.6 -16.62 60.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.277 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 48.7 m -81.95 147.23 29.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p -74.26 -38.88 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.136 -170.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.93 -37.0 0.02 OUTLIER Glycine 0 C--N 1.332 0.358 0 C-N-CA 118.765 -1.683 . . . . 0.0 115.272 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.64 127.35 31.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -92.97 142.75 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.355 174.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 60.3 mttp -97.45 130.91 44.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -128.63 129.53 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.617 -170.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.34 134.9 44.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.553 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 124.94 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 4.8 mp -112.36 129.1 24.67 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.719 178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.31 137.92 38.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.612 2.208 . . . . 0.0 111.669 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' B' ' 42' ' ' ILE . . . -61.44 -15.95 47.95 Favored Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.934 -0.575 . . . . 0.0 114.258 -172.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -84.14 -3.63 58.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.49 0.645 . . . . 0.0 111.459 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.487 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 64.7 mt -103.07 142.26 34.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.578 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 14.1 m120 -127.4 28.42 5.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.155 0.503 . . . . 0.0 110.908 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 53.1 p -161.32 140.33 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.169 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' TYR . . . . . 0.418 ' HB2' HG12 ' B' ' 63' ' ' ILE . 61.9 t80 -137.51 136.56 37.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.888 0.375 . . . . 0.0 110.387 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 24.6 m -89.71 100.64 13.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.291 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 23' ' ' ILE . 54.4 mt -81.02 117.23 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -109.5 131.16 55.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.27 28.5 4.62 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.863 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.79 174.27 8.48 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -127.74 122.63 22.59 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.82 125.13 13.73 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.444 2.096 . . . . 0.0 111.914 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.3 0.96 69.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.374 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.1 t -109.01 117.53 54.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' B' ' 102' ' ' THR . 39.7 t -73.84 138.58 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.041 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' HB3' ' B' ' 101' ' ' PHE . 18.7 p90 -130.49 162.77 28.47 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.707 174.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 38.3 mt-10 -101.57 111.09 23.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.84 132.38 11.07 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.235 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.425 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 46.0 mt-30 -121.66 121.87 38.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.54 0.21 . . . . 0.0 110.509 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.2 tm? -105.95 102.15 11.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 86' ' ' ILE . 3.3 mp -94.95 117.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -97.96 119.87 37.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.762 0.315 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.2 105.71 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 76.8 mt-30 -76.39 158.65 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.508 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -68.87 -10.87 59.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.726 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -86.16 -4.6 59.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.503 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.23 -2.21 85.05 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.65 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -69.35 120.24 14.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -117.64 126.02 51.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.601 ' OE2' ' HB2' ' A' ' 8' ' ' ASP . 9.5 mt-10 -135.0 139.8 45.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.429 HG13 HG13 ' B' ' 86' ' ' ILE . 41.1 t -109.61 111.8 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.996 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -92.56 109.26 20.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.696 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.425 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 62.9 mtm180 -96.12 139.96 31.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.974 0.416 . . . . 0.0 110.886 -175.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -144.3 170.49 15.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.815 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -136.45 157.74 46.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' B' ' 81' ' ' TYR . 66.1 t80 -144.57 146.17 32.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.805 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.415 ' HB ' HG22 ' B' ' 80' ' ' VAL . 9.3 t -167.89 175.64 6.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 2.5 m -120.96 7.84 10.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.612 0.72 . . . . 0.0 109.575 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 4.5 p -82.83 65.81 8.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.845 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 21.0 t -125.44 54.77 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.691 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 27.0 m -85.1 -47.1 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.617 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.0 t -82.02 -37.8 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.035 0.445 . . . . 0.0 109.991 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 109' ' ' PRO . 27.0 p -76.29 128.98 81.4 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 108' ' ' THR . 39.3 Cg_exo -61.35 112.7 1.5 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.644 2.229 . . . . 0.0 112.191 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.1 15.71 8.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.33 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 13.5 p -81.26 1.0 34.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 111.346 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -84.53 13.87 5.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.336 0.589 . . . . 0.0 110.231 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.9 p -84.12 52.43 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -125.66 44.59 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.782 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.62 33.52 3.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.209 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -103.36 -21.98 13.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -110.24 118.69 37.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.944 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -85.76 -21.34 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.327 0.584 . . . . 0.0 109.533 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 38.1 m80 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.566 174.02 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -135.46 -19.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 111.324 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.62 -24.59 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.388 -176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 p -85.92 39.62 0.82 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -74.83 -71.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.957 0.408 . . . . 0.0 110.474 177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.37 79.01 73.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.953 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 142.49 64.94 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.951 2.434 . . . . 0.0 112.605 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.482 ' HB2' ' NE2' ' B' ' 89' ' ' GLN . 1.0 OUTLIER -89.14 54.27 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.349 0.595 . . . . 0.0 110.416 179.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.37 119.65 65.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.408 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -53.27 134.91 58.7 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.003 2.469 . . . . 0.0 111.787 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.32 -36.27 88.14 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.291 2.661 . . . . 0.0 113.098 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -170.41 114.86 0.47 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.789 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' B' ' 99' ' ' PHE . 17.2 Cg_exo -69.14 116.05 4.3 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.537 2.158 . . . . 0.0 110.966 171.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -100.29 134.24 43.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.583 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' B' ' 101' ' ' PHE . 74.7 t -98.15 114.6 36.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.056 0.455 . . . . 0.0 109.886 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -122.95 155.68 36.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.214 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 50.33 74.17 0.23 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.554 0.534 . . . . 0.0 112.148 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -83.86 136.48 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.596 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -107.68 -169.11 1.47 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.65 -37.13 84.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.648 0.261 . . . . 0.0 110.489 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.441 HG22 ' O ' ' B' ' 75' ' ' LEU . 2.1 p -141.12 28.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -159.26 158.07 31.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.346 -0.221 . . . . 0.0 111.208 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.654 HD11 HD12 ' B' ' 72' ' ' ILE . 17.8 pt -140.82 166.31 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.413 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.94 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -94.45 122.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.274 0.559 . . . . 0.0 109.732 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -124.3 138.87 54.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.208 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.503 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 20.3 p90 -124.99 124.65 42.46 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.297 0.57 . . . . 0.0 110.505 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -69.42 137.05 52.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.591 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -67.07 131.59 93.72 Favored Pre-proline 0 C--N 1.323 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.599 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 C--O 1.246 0.88 0 C-N-CA 122.745 2.296 . . . . 0.0 111.948 178.236 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.734 0.302 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -168.77 62.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.512 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.34 -78.65 1.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -90.32 134.7 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -87.43 59.69 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.833 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 105.26 23.18 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.916 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -75.84 65.36 6.79 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.533 2.155 . . . . 0.0 111.587 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.559 ' HB2' HE22 ' B' ' 90' ' ' GLN . 12.9 mm100 -65.54 133.9 95.36 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.513 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -68.74 156.65 64.76 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.037 2.491 . . . . 0.0 112.86 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.522 ' HB3' ' OE1' ' B' ' 89' ' ' GLN . 40.6 m -76.6 62.65 1.97 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.691 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -84.65 147.1 27.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.609 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 2.9 mp -80.22 123.66 37.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.68 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.8 m -78.5 -36.77 44.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.816 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -162.66 147.11 11.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.968 0.414 . . . . 0.0 111.123 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.76 138.28 40.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.587 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.494 HG22 ' HG3' ' B' ' 48' ' ' ARG . 2.4 mp -113.18 117.3 55.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 110.215 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.492 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -97.7 119.16 35.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.693 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mtm180 -123.93 128.11 48.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' B' ' 47' ' ' LEU . 22.8 p90 -142.59 158.55 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.822 0.344 . . . . 0.0 111.17 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -157.88 150.87 18.4 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.61 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.6 137.53 80.69 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.582 2.188 . . . . 0.0 111.396 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.566 ' HB2' HG23 ' B' ' 80' ' ' VAL . 5.6 tmtp? -65.86 -25.81 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -77.09 -10.37 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.086 0.469 . . . . 0.0 110.515 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -109.32 153.17 24.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.611 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.433 ' O ' HG22 ' B' ' 55' ' ' VAL . 11.7 p -129.84 28.81 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 122.131 0.967 . . . . 0.0 109.547 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.74 -134.76 8.24 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.165 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -78.88 147.04 33.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 111.991 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.461 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 35.5 m95 -92.13 131.79 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.271 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.693 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 89.2 mttt -68.69 144.47 54.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.58 124.22 51.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 111.59 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.09 128.05 44.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.909 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -101.66 124.24 46.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.979 0.419 . . . . 0.0 111.058 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.5 mp -110.35 131.86 21.81 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.14 137.63 37.26 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.443 2.096 . . . . 0.0 111.732 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' B' ' 42' ' ' ILE . . . -69.88 7.67 4.03 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 114.09 -172.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -109.71 14.5 23.29 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.52 -0.4 . . . . 0.0 110.578 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 53.1 mt -119.87 167.95 11.61 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.1 p-10 -141.04 26.95 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.958 176.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -153.86 145.76 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' TYR . . . . . 0.473 ' HB2' HG12 ' B' ' 63' ' ' ILE . 75.6 t80 -139.5 141.63 37.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.9 m -100.49 101.79 12.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.682 0.277 . . . . 0.0 110.374 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.654 HD12 HD11 ' A' ' 23' ' ' ILE . 44.2 mt -80.61 116.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -113.07 134.06 54.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.99 24.36 4.9 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.125 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' THR . 93.6 mt -93.17 148.38 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -95.6 129.97 33.19 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 120.802 0.334 . . . . 0.0 111.245 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.57 119.32 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.54 41.53 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.036 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.04 135.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.886 0.374 . . . . 0.0 110.644 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' B' ' 52' ' ' LYS . 22.6 m -94.53 144.48 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.01 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -128.39 156.87 42.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.053 0.454 . . . . 0.0 111.799 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.434 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 46.7 mm-40 -104.23 144.71 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -136.28 149.44 20.11 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.153 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -135.13 127.12 29.63 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 122.63 0.372 . . . . 0.0 110.293 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.24 110.95 22.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.77 120.44 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.505 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' B' ' 94' ' ' GLN . 11.0 p -95.32 125.64 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.854 0.359 . . . . 0.0 110.632 177.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 39.9 mm -105.95 111.55 35.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.911 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.522 ' OE1' ' HB3' ' B' ' 40' ' ' SER . 76.4 mt-30 -90.78 -179.74 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.167 0.508 . . . . 0.0 112.257 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLN . . . . . 0.559 HE22 ' HB2' ' B' ' 38' ' ' GLN . 30.4 tt0 -55.47 -45.39 76.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.861 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.6 13.49 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.25 19.03 79.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.319 -0.943 . . . . 0.0 110.972 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' HIS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 89' ' ' GLN . 6.9 t-80 -70.69 120.13 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 87' ' ' SER . 43.3 mt-30 -116.73 120.34 38.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.788 0.328 . . . . 0.0 111.209 -174.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.488 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 2.1 mp0 -111.24 114.61 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.642 172.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -99.72 106.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.901 0.381 . . . . 0.0 110.321 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 17.8 m -96.04 109.91 22.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.72 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -92.63 137.27 32.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.388 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.428 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 34.4 p90 -152.1 -177.35 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.21 159.54 42.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CB ' HG21 ' A' ' 15' ' ' VAL . 40.7 p90 -154.59 149.3 26.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.021 0.438 . . . . 0.0 110.902 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.415 ' HB ' HG12 ' B' ' 80' ' ' VAL . 5.7 t -128.19 135.4 49.67 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 15.2 m -99.47 72.18 1.79 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 2.1 m -80.85 44.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.609 0.719 . . . . 0.0 110.995 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 23.8 m -85.53 71.0 10.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.142 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 30.6 p -80.54 68.78 6.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.983 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.0 t -103.55 7.9 37.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 109.686 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 17.9 m -54.11 -51.74 74.7 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.791 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 108' ' ' THR . 34.4 Cg_endo -65.56 2.29 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.381 2.054 . . . . 0.0 113.328 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.53 -21.65 74.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.138 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.6 t -112.14 22.64 14.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.561 0.696 . . . . 0.0 109.834 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -77.27 -60.81 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.272 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 17.0 m -92.52 126.2 37.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.599 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -95.32 5.2 52.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.931 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -66.1 -40.74 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.587 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -80.66 118.41 22.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -156.73 143.16 18.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.44 -176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -132.93 159.11 40.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.795 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.535 176.747 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -136.99 122.71 19.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.86 0.362 . . . . 0.0 110.812 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -84.76 86.99 7.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.8 m -62.82 -39.19 93.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.833 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -108.78 138.21 45.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.79 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.74 149.74 19.43 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.656 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.56 60.04 2.69 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.772 2.315 . . . . 0.0 112.351 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -100.93 -30.34 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.574 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.62 131.24 23.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.54 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.33 128.14 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.634 2.223 . . . . 0.0 111.7 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 28' ' ' SER . 51.1 Cg_exo -54.87 162.83 4.64 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.807 2.338 . . . . 0.0 111.782 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 8.3 p-10 -54.85 120.7 30.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.211 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 21.7 Cg_exo -66.12 148.87 85.8 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.989 2.459 . . . . 0.0 112.438 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 p -99.72 131.78 45.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.1 t -94.72 121.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -97.46 179.94 4.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 111.252 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' HB3' ' HB ' ' B' ' 104' ' ' THR . 15.0 pt20 -130.53 72.01 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.627 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -80.85 -52.58 13.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.58 -174.3 2.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -82.22 -37.57 25.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.734 -0.386 . . . . 0.0 109.966 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -125.93 22.11 7.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.595 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 m -138.18 132.39 31.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.514 HD11 HD12 ' B' ' 72' ' ' ILE . 10.8 pt -116.04 168.39 7.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.501 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 106.84 20.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -89.97 116.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.697 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' B' ' 69' ' ' SER . 47.4 mtm105 -110.24 125.88 53.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.99 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -119.28 151.4 38.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.519 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 67.1 m -96.74 111.94 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 7.0 ppt_? -87.43 152.43 52.28 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.58 -178.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo . . . . . 0 C--O 1.254 1.314 0 C-N-CA 123.63 2.887 . . . . 0.0 113.094 175.383 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' B' ' 35' ' ' ASN . 20.1 ptt? . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -94.94 80.99 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.902 -173.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.45 38.01 95.06 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.568 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.8 t -114.67 -5.94 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.93 0.395 . . . . 0.0 110.307 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.438 ' HB2' ' SD ' ' B' ' 31' ' ' MET . 44.0 t30 -71.24 -65.76 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 0.0 110.247 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.51 133.03 21.58 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.26 77.78 2.0 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.731 2.287 . . . . 0.0 111.987 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -60.52 138.14 92.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.164 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' CE2' ' B' ' 91' ' ' TYR . 59.8 Cg_endo -73.25 66.14 4.36 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.998 2.466 . . . . 0.0 112.787 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -146.99 44.82 1.17 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.418 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -142.91 101.32 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.483 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.502 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 3.6 mp -91.6 137.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.056 -175.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -86.14 -33.06 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.46 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -166.5 145.51 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.587 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.461 ' HB3' HD21 ' B' ' 85' ' ' LEU . 38.0 m-85 -108.2 123.57 48.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -100.83 119.46 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.005 0.431 . . . . 0.0 110.219 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.75 114.61 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.21 130.76 54.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.455 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.9 p90 -134.15 138.0 44.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 111.039 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 57' ' ' ARG . 62.1 ttp180 -123.84 123.56 26.2 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.19 139.3 54.8 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.226 1.95 . . . . 0.0 110.241 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -64.32 -18.93 65.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.509 0.195 . . . . 0.0 111.475 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -78.76 -8.61 58.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -105.91 126.28 52.0 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.37 -35.48 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.18 17.8 1.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.68 -1.248 . . . . 0.0 114.022 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' B' ' 50' ' ' ARG . 36.0 mmt180 -107.47 110.86 22.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.53 0.681 . . . . 0.0 112.047 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.402 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 86.5 m95 -95.78 135.99 36.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.115 175.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -97.51 129.12 44.7 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -121.97 137.53 54.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 112.118 -168.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.46 138.92 46.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.092 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 40.6 m -104.81 122.38 45.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.429 HG23 HD12 ' B' ' 67' ' ' LEU . 4.4 mp -109.71 126.28 29.46 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.87 144.45 20.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.336 2.691 . . . . 0.0 112.618 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -76.95 46.9 2.47 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.963 -0.562 . . . . 0.0 114.346 -171.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -151.85 17.91 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.429 HD12 HG23 ' B' ' 63' ' ' ILE . 38.2 mt -118.88 148.64 42.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.683 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -124.62 12.16 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 110.688 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.494 ' HB3' ' HG2' ' A' ' 26' ' ' ARG . 31.2 p -150.3 141.63 23.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -139.06 142.99 38.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.115 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 31.1 m -96.31 101.3 12.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.882 0.372 . . . . 0.0 110.555 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 23' ' ' ILE . 36.6 mt -84.58 124.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -106.65 150.44 26.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.041 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.86 21.02 37.69 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CE2' ' B' ' 101' ' ' PHE . 20.6 mt -97.33 121.92 39.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -101.96 122.35 47.5 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.33 118.22 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.265 1.977 . . . . 0.0 111.181 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.03 -20.72 14.09 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.15 136.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -87.12 126.96 40.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.127 0.489 . . . . 0.0 111.228 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.44 137.41 54.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.275 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 38.7 mt-10 -104.46 123.83 48.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.79 149.25 16.94 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.044 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.46 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 77.8 mt-30 -138.78 130.64 27.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.751 0.31 . . . . 0.0 110.637 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.4 tm? -106.87 116.03 31.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 3.7 mp -107.67 113.5 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.6 p -91.37 108.58 19.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 20.6 mm -91.87 102.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.502 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 44.1 mt-30 -80.49 158.37 25.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.005 0.431 . . . . 0.0 110.579 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.77 -6.17 19.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.476 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' B' ' 39' ' ' PRO . 4.5 m-85 -106.45 17.9 22.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.71 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.12 5.08 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.732 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' B' ' 89' ' ' GLN . 3.5 m170 -72.88 119.94 17.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -124.8 121.3 34.18 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 64.0 mm-40 -121.21 130.18 53.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.259 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -107.89 112.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.226 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -102.4 114.4 28.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 88.3 mtm180 -92.06 129.38 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.855 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -135.02 176.25 8.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.669 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -135.45 154.8 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' B' ' 75' ' ' LEU . 59.6 t80 -134.95 145.69 48.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 24.1 m -144.14 -52.17 0.32 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.213 0.53 . . . . 0.0 109.603 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.7 t -164.97 132.56 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.311 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 17' ' ' GLN . 3.6 m -82.58 -5.61 58.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.28 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 26.9 p -65.22 -42.08 93.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.428 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.4 p -96.81 2.36 51.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.0 m -69.01 -66.88 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.66 0.266 . . . . 0.0 111.263 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.2 m -107.82 118.46 52.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.608 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.1 71.36 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.946 2.431 . . . . 0.0 112.4 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.21 -89.97 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -74.47 -34.0 63.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -86.8 133.34 33.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.352 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t 63.97 63.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.511 0.672 . . . . 0.0 109.972 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.63 7.71 28.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.383 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -85.3 60.13 6.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -116.01 -15.67 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.66 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -85.65 126.89 34.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.178 0.513 . . . . 0.0 110.793 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -103.41 161.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.229 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.998 178.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.884 -0.487 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -74.36 -31.04 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.674 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -73.4 144.77 46.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.217 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -144.96 172.04 13.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.929 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p 58.8 177.65 0.07 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.128 0.971 . . . . 0.0 112.491 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.67 83.1 0.23 Allowed Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.461 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.99 90.81 0.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.718 2.279 . . . . 0.0 111.851 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' HB2' ' OE1' ' B' ' 89' ' ' GLN . 6.7 p-10 -76.98 -23.36 52.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.183 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.67 118.53 67.46 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -58.07 131.46 43.59 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.009 2.473 . . . . 0.0 111.721 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.79 -174.67 0.31 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.035 2.49 . . . . 0.0 112.599 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.64 120.4 31.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.731 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.86 143.35 60.69 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.541 2.161 . . . . 0.0 111.28 174.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 m -107.12 134.43 50.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.967 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.531 HG11 ' CD1' ' B' ' 101' ' ' PHE . 48.3 t -108.87 117.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -109.1 129.18 55.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.826 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 111.9 21.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.872 0.367 . . . . 0.0 110.168 -177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -94.76 -22.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' HB2' ' HB2' ' A' ' 22' ' ' SER . 9.1 m-20 -138.5 -175.32 4.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.433 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.36 -40.2 27.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 18.5 p -108.38 13.72 25.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.24 -175.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 16.3 m -147.24 134.93 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 111.265 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 HD12 ' B' ' 72' ' ' ILE . 19.3 pt -124.13 164.61 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.535 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.88 105.41 18.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -92.11 115.41 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.265 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -114.55 140.69 48.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.015 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.44 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 27.2 p90 -133.86 136.09 44.13 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -76.1 111.61 11.68 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.84 0.353 . . . . 0.0 110.822 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.41 125.61 71.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.412 178.702 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 14.2 Cg_endo . . . . . 0 C--O 1.246 0.886 0 C-N-CA 123.883 3.056 . . . . 0.0 112.543 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 42.5 tpp . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.684 0.278 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' B' ' 32' ' ' ARG . 2.8 tmt_? -122.49 110.31 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.02 -115.07 0.31 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.4 p -80.52 -30.17 37.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.327 0.584 . . . . 0.0 109.925 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -81.46 106.06 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.306 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.31 101.89 22.06 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.684 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.69 117.38 4.09 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.976 2.45 . . . . 0.0 112.738 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -100.22 135.85 20.21 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.5 -11.04 30.75 Favored 'Trans proline' 0 CA--C 1.526 0.101 0 C-N-CA 122.399 2.066 . . . . 0.0 112.586 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -74.89 71.2 2.01 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.673 -176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -132.94 85.87 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.369 . . . . 0.0 110.149 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.59 HG21 ' CE2' ' B' ' 45' ' ' TYR . 3.0 mp -76.56 135.49 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.487 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.6 m -97.8 -34.67 10.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -163.22 151.78 14.12 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' B' ' 42' ' ' ILE . 22.1 m-85 -111.7 134.3 53.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.6 mp -108.02 109.9 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.456 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -96.63 116.36 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.314 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mtm180 -123.69 126.96 47.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.241 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 29.3 p90 -128.58 142.9 50.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 0.0 111.012 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 17.3 ttp85 -133.8 130.38 20.63 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.117 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 14.8 Cg_exo -67.39 130.66 22.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.251 1.967 . . . . 0.0 110.998 173.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -64.16 -23.9 67.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.091 0.472 . . . . 0.0 111.176 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.92 -16.87 57.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -101.54 156.01 17.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -125.48 17.56 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.923 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.17 -124.6 4.02 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.89 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -104.58 169.25 8.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.219 0.533 . . . . 0.0 111.599 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -91.67 136.66 32.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.147 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 43.1 mtpt -81.97 140.76 33.81 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.84 132.75 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -167.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 132.3 41.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.97 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.3 m -104.89 122.39 45.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 0.0 110.626 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.413 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.8 mp -110.72 134.23 20.98 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.137 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.58 139.01 86.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.644 2.23 . . . . 0.0 111.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -64.26 -9.56 36.73 Favored Glycine 0 C--N 1.335 0.491 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.509 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -75.33 -18.95 59.89 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.743 0.417 . . . . 0.0 111.081 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 40.1 mt -97.83 175.39 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.722 0.296 . . . . 0.0 110.761 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 29.7 p-10 -147.52 19.09 1.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -164.44 153.96 13.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' TYR . . . . . 0.413 ' HB2' HG12 ' B' ' 63' ' ' ILE . 80.7 t80 -143.24 143.39 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.225 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 18.2 m -98.07 100.53 11.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.26 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 23' ' ' ILE . 49.1 mt -79.04 107.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.833 0.349 . . . . 0.0 110.194 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -100.47 121.73 42.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.983 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.55 31.94 1.0 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.423 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 21' ' ' THR . 76.3 mt -103.68 122.06 44.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.908 0.385 . . . . 0.0 110.081 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.84 131.77 87.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.207 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.638 ' HA ' HG21 ' B' ' 103' ' ' THR . 16.5 Cg_exo -69.13 132.11 23.62 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.774 2.316 . . . . 0.0 111.693 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.83 10.86 58.46 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.76 140.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.48 140.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' B' ' 101' ' ' PHE . 54.8 m-85 -127.1 151.09 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.017 0.437 . . . . 0.0 111.483 -177.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 46.8 mt-10 -103.62 138.18 40.65 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.78 140.53 11.9 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.175 -1.012 . . . . 0.0 112.863 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -125.73 120.43 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.401 HD23 HD23 ' B' ' 47' ' ' LEU . 3.1 tm? -100.77 103.61 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 46' ' ' ILE . 7.5 mt -102.98 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.44 -178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 37.6 m -92.01 120.54 32.75 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.3 mm -94.0 109.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' HB2' ' A' ' 8' ' ' ASP . 49.3 mt-30 -96.23 162.0 13.71 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -47.58 -45.2 27.05 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.742 0.651 . . . . 0.0 111.942 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -81.06 8.52 8.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.772 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.97 3.33 85.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.506 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.62 120.07 15.71 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -104.35 119.74 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -114.41 114.73 26.25 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.399 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.466 HG22 HG23 ' B' ' 86' ' ' ILE . 25.9 t -101.0 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.053 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 31.6 m -102.21 111.38 23.64 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -84.3 148.28 26.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.351 0.596 . . . . 0.0 111.379 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -146.03 168.4 20.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.45 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.04 150.16 43.44 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.531 ' CD1' HG11 ' A' ' 15' ' ' VAL . 37.9 t80 -128.52 135.48 49.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.397 0.618 . . . . 0.0 110.904 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -134.52 140.62 46.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.171 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.638 HG21 ' HA ' ' B' ' 77' ' ' PRO . 36.1 p -79.98 -10.2 59.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -164.36 131.42 3.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.965 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 67.1 m -125.55 18.02 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -143.52 16.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.23 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 31.7 t -70.66 -50.65 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.547 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 23.8 m -111.03 105.75 57.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.765 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.61 64.03 6.54 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.873 2.382 . . . . 0.0 112.764 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.63 -30.75 55.87 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.663 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -149.21 148.72 29.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -87.37 -3.52 59.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.338 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 23.2 m -76.44 147.57 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.221 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 58.85 53.38 5.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.146 0.498 . . . . 0.0 111.221 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -108.32 18.77 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -62.75 -36.15 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -86.07 100.41 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.013 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 8.4 t60 66.56 91.59 0.08 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.946 0.779 . . . . 0.0 110.982 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.234 178.393 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m -78.57 114.0 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.789 0.294 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -80.52 66.83 6.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.107 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.3 m 59.31 76.44 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.753 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -63.05 -41.2 99.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.823 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.22 97.04 28.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.745 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.11 -74.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.882 2.388 . . . . 0.0 112.206 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -114.61 5.62 15.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.003 0.43 . . . . 0.0 110.3 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -72.19 132.2 84.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.181 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 50.3 Cg_exo -55.19 121.65 10.29 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.696 2.264 . . . . 0.0 111.286 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 1.5 Cg_endo -42.86 -66.8 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.842 3.028 . . . . 0.0 114.146 -172.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -148.57 124.46 5.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.793 -177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 27' ' ' TRP . 5.9 Cg_exo -80.45 128.39 6.99 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 123.058 2.505 . . . . 0.0 111.384 171.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 m -100.36 139.27 36.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG11 ' CD1' ' B' ' 101' ' ' PHE . 72.0 t -108.12 111.91 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.508 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -116.97 157.43 25.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.8 mm-40 57.93 88.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.974 0.796 . . . . 0.0 111.722 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.13 -23.36 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 0.0 110.502 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 13.3 t70 52.2 -143.37 0.69 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.97 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' H ' ' CG ' ' A' ' 19' ' ' ASP . 18.4 t70 -82.85 -54.75 4.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.713 0.292 . . . . 0.0 110.428 175.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -150.59 34.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.555 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 p -150.57 137.15 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.362 -0.211 . . . . 0.0 110.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.681 HD11 HD12 ' B' ' 72' ' ' ILE . 17.3 pt -116.6 161.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.926 0.393 . . . . 0.0 111.314 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.0 t -108.93 105.33 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 170.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.1 117.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.293 0.568 . . . . 0.0 110.025 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -118.84 125.21 49.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.327 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.549 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 19.2 p90 -107.47 129.21 54.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.269 0.557 . . . . 0.0 111.231 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -89.82 127.68 36.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.063 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.83 158.68 86.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.098 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 C--O 1.248 0.984 0 C-N-CA 123.145 2.563 . . . . 0.0 112.064 177.241 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.43 127.58 32.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.179 0.514 . . . . 0.0 110.551 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.97 68.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.576 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.6 t -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.234 0.54 . . . . 0.0 109.572 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -128.37 68.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.66 90.58 50.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.955 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.19 133.49 53.21 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.864 2.376 . . . . 0.0 111.917 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -102.57 110.92 64.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.419 ' HA ' ' OH ' ' B' ' 91' ' ' TYR . 37.7 Cg_endo -66.81 121.53 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.389 2.06 . . . . 0.0 112.02 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t 60.11 47.55 9.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.711 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.85 129.92 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.369 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 2.7 mp -93.52 131.25 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 25.0 t -91.57 -31.03 16.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.518 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -163.36 145.21 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.909 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -103.92 131.82 50.77 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' B' ' 48' ' ' ARG . 3.0 mp -109.59 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.418 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -96.72 113.26 24.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.469 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 82.4 mtt180 -113.49 132.28 55.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.082 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.0 p90 -139.34 141.89 37.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.186 0.517 . . . . 0.0 110.973 177.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -140.96 133.01 14.03 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.612 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -51.72 116.14 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.514 ' HD3' ' CG ' ' B' ' 82' ' ' GLU . 22.6 tptm -79.26 -34.09 42.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.684 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.492 ' HB2' ' H ' ' B' ' 80' ' ' VAL . 8.5 t30 -65.74 -23.8 66.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.852 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.5 m -121.79 -169.82 1.94 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.394 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.49 -47.09 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.67 164.29 9.49 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -119.29 141.12 49.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -69.14 114.5 7.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.728 0.299 . . . . 0.0 110.81 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -101.82 134.95 44.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 23.2 mt-10 -122.34 143.82 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.895 0.379 . . . . 0.0 111.425 -173.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.98 130.87 32.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 175.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.6 m -102.17 118.21 36.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.249 0.547 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 4.8 mp -110.29 131.51 21.99 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.292 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.63 146.24 15.58 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.815 2.343 . . . . 0.0 112.193 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.12 40.4 1.23 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.879 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -151.26 17.36 0.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.914 0.387 . . . . 0.0 110.259 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 52.6 mt -124.06 127.57 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.549 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 5.9 m-20 -114.79 40.43 2.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 45.6 t -164.18 133.48 3.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.247 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -140.62 147.76 39.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 21.8 m -106.46 101.91 11.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.681 HD12 HD11 ' A' ' 23' ' ' ILE . 45.7 mt -79.37 128.41 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -113.2 140.11 48.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.729 0.3 . . . . 0.0 110.567 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.84 21.14 12.58 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.786 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 mt -94.21 133.0 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -100.14 122.38 50.56 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.75 131.94 45.04 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.655 2.237 . . . . 0.0 111.82 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.36 -32.55 7.41 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' B' ' 53' ' ' ASN . 97.4 t -82.22 136.99 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.412 -0.394 . . . . 0.0 109.938 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.492 ' H ' ' HB2' ' B' ' 53' ' ' ASN . 15.9 t -87.76 142.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.8 143.34 50.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 111.586 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.514 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 52.3 mm-40 -104.0 109.23 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.441 173.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.77 141.07 16.67 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.079 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -131.81 134.85 46.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 110.375 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.34 104.89 16.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.403 HG23 HG22 ' B' ' 96' ' ' VAL . 4.3 mp -96.09 108.22 20.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 17.5 p -91.94 115.29 27.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.16 105.66 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.036 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 48.6 mt-30 -80.28 160.34 25.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.384 0.611 . . . . 0.0 111.15 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -61.78 -15.07 38.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.886 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' B' ' 39' ' ' PRO . 17.8 m-85 -93.65 -2.02 54.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 0.0 110.256 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.12 -13.98 65.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.849 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -62.5 120.32 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 110.238 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -98.9 121.78 41.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.44 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 8.1 mm-40 -111.94 115.88 29.69 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.403 HG22 HG23 ' B' ' 86' ' ' ILE . 59.7 t -104.7 111.15 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.35 -175.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 31.6 m -101.9 112.55 25.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.447 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.49 142.87 31.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.57 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -136.89 146.68 45.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.109 0.481 . . . . 0.0 110.085 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -101.89 134.22 45.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.487 ' CD1' HG11 ' A' ' 15' ' ' VAL . 50.7 t80 -136.16 135.37 39.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 0.0 111.365 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -174.46 141.8 0.72 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.114 169.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -149.64 104.78 3.37 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 19.5 m -84.38 98.47 10.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -84.73 52.06 2.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 17.2 m -84.74 77.41 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.317 0.579 . . . . 0.0 109.527 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 21.9 t -86.78 -13.3 45.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.719 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 41.3 m -117.31 94.63 45.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.922 0.391 . . . . 0.0 111.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.92 -17.13 32.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.855 2.37 . . . . 0.0 111.575 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -66.24 -12.19 57.5 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.698 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.6 m -71.47 -18.62 62.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.111 0.481 . . . . 0.0 110.063 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -79.13 -46.9 17.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.685 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 7.2 m -65.39 140.6 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.924 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 50.0 m80 64.45 -134.64 0.29 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 62.5 31.04 17.22 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.445 0.465 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -96.51 3.76 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 109.883 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -140.16 45.47 1.87 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.974 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 67.36 -71.6 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.363 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 55.1 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.983 -178.665 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 5' ' ' THR . 20.3 m -86.69 16.06 5.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.122 0.487 . . . . 0.0 111.222 -177.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -78.66 -41.22 31.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.0 m -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' A' ' 2' ' ' SER . 25.7 m -88.71 92.81 9.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.034 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.99 86.48 42.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.422 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.22 67.19 7.63 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.682 2.255 . . . . 0.0 110.537 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -87.95 53.79 2.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.546 -168.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.65 ' HB2' ' CG ' ' B' ' 95' ' ' GLU . . . -92.55 147.56 34.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.371 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.45 120.7 8.36 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.722 2.282 . . . . 0.0 110.739 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 28' ' ' SER . 53.3 Cg_exo -54.68 -40.03 86.33 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.602 2.868 . . . . 0.0 114.319 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.3 117.02 2.99 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.758 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' B' ' 99' ' ' PHE . 3.2 Cg_exo -83.92 114.67 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.92 2.413 . . . . 0.0 110.543 167.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -99.97 141.19 33.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG21 ' CB ' ' B' ' 101' ' ' PHE . 94.4 t -98.04 126.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 15.7 t70 -124.34 126.86 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.449 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 2.2 mp0 70.44 142.79 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.264 0.625 . . . . 0.0 111.764 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' A' ' 23' ' ' ILE . 33.8 t -121.0 -22.44 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.747 174.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t70 53.22 -141.7 0.84 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.736 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.35 -54.4 5.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.907 0.384 . . . . 0.0 110.28 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -148.88 35.47 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.435 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 77.9 p -153.18 131.94 12.37 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.506 -175.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD11 HD12 ' B' ' 72' ' ' ILE . 15.8 pt -115.41 161.22 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.658 0.266 . . . . 0.0 110.498 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -109.66 105.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 170.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -98.7 118.84 45.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.126 0.489 . . . . 0.0 110.257 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' B' ' 69' ' ' SER . 78.8 mtp180 -122.26 133.94 54.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.336 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 16.2 p90 -116.14 134.28 55.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.242 0.544 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.467 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 45.5 m -87.77 146.4 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.6 151.28 52.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 C--O 1.251 1.156 0 C-N-CA 122.761 2.307 . . . . 0.0 112.057 177.645 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.896 0.379 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -85.37 63.62 8.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.222 0.534 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 27.79 4.8 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.334 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -80.18 -58.47 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -102.37 123.7 46.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.044 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.93 73.88 0.84 Allowed Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.786 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.8 161.46 45.85 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.691 2.261 . . . . 0.0 111.657 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -81.08 119.49 76.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.21 -175.43 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.911 2.407 . . . . 0.0 112.843 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -51.46 117.24 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 112.793 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -144.19 161.06 39.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.136 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.408 HG21 ' CE1' ' B' ' 45' ' ' TYR . 1.7 mp -105.88 131.1 56.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.335 0.588 . . . . 0.0 110.358 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.8 m -78.2 -42.21 32.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.736 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -159.3 144.72 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.667 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HA2' ' B' ' 65' ' ' GLY . 94.2 m-85 -104.52 127.47 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.51 117.59 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 115.72 27.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.477 -0.783 . . . . 0.0 108.89 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 97.2 mtt180 -115.53 137.36 52.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.646 176.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.431 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.4 p90 -141.89 145.79 35.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.699 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.492 ' HB2' ' CD2' ' B' ' 58' ' ' TRP . 2.7 tmm_? -138.88 130.86 15.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.553 -177.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.94 114.96 3.01 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -62.6 -38.98 92.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.226 -172.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -91.57 5.25 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.021 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -126.74 154.07 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.431 . . . . 0.0 110.959 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 m -82.09 33.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 0.0 111.494 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -178.94 52.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.635 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 7.0 mpt_? -107.52 178.17 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.492 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 61.2 m95 -90.18 114.46 26.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.832 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 81.7 mttt -78.83 155.94 28.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -123.22 127.36 48.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 111.765 -174.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.47 127.83 50.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.431 170.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 23.6 m -101.73 116.76 33.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.004 0.431 . . . . 0.0 110.849 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.9 127.78 26.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.184 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.05 141.74 36.61 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.575 2.183 . . . . 0.0 111.479 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -76.2 49.64 2.62 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.809 -172.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -167.0 24.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.53 -45.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.385 0.612 . . . . 0.0 110.01 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.564 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 4.3 m-20 63.17 21.51 12.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.036 169.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.463 ' HB3' ' HG2' ' A' ' 26' ' ' ARG . 5.7 p -160.03 134.87 7.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.824 -178.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -143.65 139.88 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 85.1 m -96.26 103.48 15.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.079 174.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 23' ' ' ILE . 32.8 mt -79.88 120.99 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.24 160.15 16.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.787 0.327 . . . . 0.0 110.137 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.97 58.14 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.881 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.43 122.13 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -85.04 130.13 53.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.447 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.68 131.17 25.2 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.709 2.273 . . . . 0.0 111.884 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.85 -12.93 68.51 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.875 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 90.7 t -94.02 127.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.988 0.423 . . . . 0.0 110.104 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.73 132.77 31.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -120.01 137.33 54.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 45.0 mt-10 -103.55 124.8 49.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.37 155.44 16.09 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.016 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.502 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 97.8 mt-30 -142.66 121.34 12.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.14 -0.53 . . . . 0.0 110.227 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.33 110.35 22.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.444 HG23 HG22 ' B' ' 96' ' ' VAL . 16.9 mt -101.82 110.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.151 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.9 p -91.74 107.6 19.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.558 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.0 mm -84.93 107.1 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -82.66 176.97 8.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.892 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -55.59 -45.58 77.41 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.09 4.62 37.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 111.047 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.42 7.95 60.17 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.943 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -65.73 119.88 11.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -92.26 121.88 34.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.65 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 5.7 tp10 -124.7 131.64 53.45 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.444 HG22 HG23 ' B' ' 86' ' ' ILE . 35.6 t -115.7 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.974 0.416 . . . . 0.0 111.577 -172.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -101.04 114.84 29.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.654 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.502 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 58.4 mtm180 -95.31 135.1 37.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.712 -173.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.503 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 28.9 p90 -144.82 164.82 29.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.342 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -122.91 140.38 53.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CB ' HG21 ' A' ' 15' ' ' VAL . 35.6 p90 -148.41 144.57 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.53 0.681 . . . . 0.0 111.887 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.7 m -155.29 -50.54 0.09 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.853 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.15 125.64 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.696 175.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -70.71 -22.55 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.451 . . . . 0.0 110.495 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -91.8 84.43 5.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.2 t -129.79 32.19 4.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t 63.05 78.85 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.814 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 21.3 p -114.1 96.1 40.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.321 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.77 -5.87 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.611 2.207 . . . . 0.0 112.288 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.36 126.25 2.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.197 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -74.55 -8.52 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.258 0.551 . . . . 0.0 110.321 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -61.32 -28.61 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.648 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.8 t -90.42 103.81 16.46 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 110.108 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -150.2 41.96 0.83 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.587 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -61.59 101.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 61.97 29.07 17.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.305 -173.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 57.97 26.0 12.9 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.264 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -64.57 -63.03 1.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 . . . . . 0 C--O 1.247 0.923 0 O-C-N 123.709 0.631 . . . . 0.0 111.224 175.288 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -82.17 78.65 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.126 0.489 . . . . 0.0 110.754 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 49.4 mt-30 -97.66 79.61 2.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.184 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -91.68 -26.99 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.235 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.469 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 9.4 p -83.48 -14.02 53.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.758 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 3' ' ' GLN . . . -94.88 105.41 18.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 5' ' ' THR . 89.7 Cg_endo -85.91 175.32 5.93 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.612 2.208 . . . . 0.0 111.79 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.56 20.0 18.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.401 0.619 . . . . 0.0 109.424 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.21 127.38 53.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.492 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.73 130.09 29.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.18 2.587 . . . . 0.0 112.172 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 28' ' ' SER . 88.6 Cg_exo -45.7 146.73 3.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.331 2.687 . . . . 0.0 112.252 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.62 114.71 0.84 Allowed Pre-proline 0 N--CA 1.469 0.49 0 O-C-N 124.433 1.083 . . . . 0.0 111.984 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' B' ' 99' ' ' PHE . 98.5 Cg_exo -47.56 141.01 15.67 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.868 3.045 . . . . 0.0 113.687 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -99.69 114.19 27.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.178 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' HB ' ' CB ' ' B' ' 105' ' ' SER . 75.0 t -104.79 125.35 59.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 120.89 0.376 . . . . 0.0 110.276 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -80.28 -179.64 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -59.57 130.82 48.72 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.136 0.493 . . . . 0.0 110.609 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG12 HG23 ' B' ' 103' ' ' THR . 8.6 p -66.33 133.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.03 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -82.17 -151.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.424 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.08 -54.1 49.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -150.16 35.3 0.66 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 13.8 m -147.89 150.44 34.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.741 0.305 . . . . 0.0 111.379 -177.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.624 HD11 HD12 ' B' ' 72' ' ' ILE . 14.2 pt -127.6 154.21 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.088 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -103.89 106.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.04 115.15 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 26' ' ' ARG . 29.1 mtt180 -103.26 159.48 15.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.951 -177.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -148.22 134.77 19.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.569 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 30.1 m -80.98 111.39 17.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.05 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HD3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -60.64 139.75 92.86 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.34 177.245 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.591 2.194 . . . . 0.0 111.563 177.731 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.553 0.216 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -152.29 179.42 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.628 0.252 . . . . 0.0 110.348 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.08 -149.27 9.05 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.836 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.6 p -68.27 -58.26 4.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.763 0.316 . . . . 0.0 110.669 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -173.46 140.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.99 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.52 96.37 43.24 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.99 103.45 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 112.401 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.06 125.72 89.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.759 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.04 69.0 3.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.941 2.427 . . . . 0.0 112.362 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 63.1 p -147.97 -150.3 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.739 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 69.76 89.04 0.1 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.147 0.499 . . . . 0.0 110.575 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.443 ' N ' HD12 ' B' ' 42' ' ' ILE . 3.2 mp -85.64 119.53 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.098 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -75.02 -33.17 61.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.084 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -164.91 147.12 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.226 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.77 124.17 49.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 46' ' ' ILE . 2.9 mp -102.9 120.75 53.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.911 0.386 . . . . 0.0 110.276 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -96.48 114.74 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 80.7 mtt180 -114.23 137.41 51.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.436 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.3 p90 -142.47 156.18 45.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.75 0.31 . . . . 0.0 110.733 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -148.72 134.92 9.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.339 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.9 124.66 13.43 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.202 . . . . 0.0 111.735 174.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.582 ' HB2' HG23 ' B' ' 80' ' ' VAL . 8.0 mmtp -78.83 -29.97 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.673 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -61.04 -36.04 78.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -115.25 -171.46 1.96 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 p -61.15 -48.22 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.46 151.47 3.08 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.869 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -118.83 138.42 52.73 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -75.95 126.57 31.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.852 0.358 . . . . 0.0 110.063 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 26.6 mtpp -104.02 144.35 31.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.843 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -113.51 123.09 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.743 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.04 115.82 26.14 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 61.3 m -90.96 118.94 30.75 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.112 0.482 . . . . 0.0 110.742 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.494 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 5.4 mp -110.16 126.54 28.75 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.33 144.96 12.28 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.001 2.467 . . . . 0.0 112.322 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.19 -4.85 17.83 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 114.179 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -103.75 14.93 29.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.186 0.493 . . . . 0.0 111.456 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.494 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 70.9 mt -118.65 150.01 40.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.461 ' OD1' ' HD2' ' A' ' 29' ' ' ARG . 13.9 m120 -127.9 21.82 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.416 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.0 p -159.34 145.07 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.391 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -137.34 142.67 41.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.016 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -99.77 105.43 17.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.624 HD12 HD11 ' A' ' 23' ' ' ILE . 27.3 mt -82.27 116.49 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -109.69 130.12 55.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.276 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.96 4.23 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.056 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 99.2 mt -103.66 138.07 40.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -93.53 121.24 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.387 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.3 131.71 37.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.482 2.122 . . . . 0.0 111.717 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.31 -27.97 17.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.652 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 85.5 t -86.98 132.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' B' ' 52' ' ' LYS . 31.5 m -83.83 137.93 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.248 0.547 . . . . 0.0 110.81 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.1 156.01 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.443 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 68.2 mm-40 -103.22 140.41 37.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -125.02 130.32 7.34 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.397 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.484 ' OE1' ' HG2' ' B' ' 98' ' ' ARG . 71.5 mm-40 -123.84 114.52 19.97 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' B' ' 47' ' ' LEU . 3.1 tm? -100.53 101.64 12.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.465 HG23 HG22 ' B' ' 96' ' ' VAL . 4.2 mp -96.5 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -91.25 117.36 29.58 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' B' ' 94' ' ' GLN . 40.4 mm -96.36 114.09 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.217 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -88.61 162.22 16.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.969 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.26 -34.08 68.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.177 0.513 . . . . 0.0 111.056 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.27 11.19 5.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.497 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.5 13.51 83.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.551 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -83.44 128.03 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.413 ' HG2' ' CD1' ' B' ' 88' ' ' ILE . 77.0 mt-30 -105.7 120.0 40.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.918 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -113.17 113.74 25.78 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.465 HG22 HG23 ' B' ' 86' ' ' ILE . 40.4 t -109.83 110.05 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -174.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 18.5 m -92.01 115.01 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.715 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' OE1' ' B' ' 84' ' ' GLN . 45.3 mtp85 -86.59 133.5 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 24.7 p90 -153.12 178.6 9.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.82 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -145.63 153.27 40.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -144.69 152.46 40.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.963 0.411 . . . . 0.0 111.093 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 40.8 m -151.38 -60.19 0.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.149 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.401 HG23 HG12 ' A' ' 18' ' ' VAL . 87.5 m -156.76 -56.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -97.23 65.52 2.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.189 0.518 . . . . 0.0 110.752 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.478 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . 36.0 t -82.03 -66.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 71.6 m -123.71 94.2 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 109.81 171.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 24.5 m -151.28 106.33 3.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.541 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.6 m -109.79 97.82 30.52 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.3 -33.78 13.94 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.374 2.049 . . . . 0.0 111.918 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -99.45 50.56 1.15 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.903 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 11.0 p -70.67 -40.67 72.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 55.0 74.69 0.35 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.28 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.7 m -80.84 60.66 4.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.057 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -111.23 34.02 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.173 0.987 . . . . 0.0 109.114 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -135.9 34.38 2.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.331 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.518 ' HA ' ' OXT' ' B' ' 119' ' ' HIS . 35.3 t60 -81.96 52.97 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 -170.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -100.72 79.02 2.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 171.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 62.2 t60 65.35 34.29 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.459 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.518 ' OXT' ' HA ' ' B' ' 116' ' ' HIS . 83.9 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.678 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -84.48 79.47 9.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.908 0.385 . . . . 0.0 110.973 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.21 -29.23 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.127 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -85.69 -76.78 0.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.887 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -144.42 -72.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' N ' ' HD3' ' A' ' 7' ' ' PRO . . . -144.86 58.1 5.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.149 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 81.8 Cg_endo -90.18 145.42 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.463 2.109 . . . . 0.0 111.87 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.27 54.77 2.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.41 0.624 . . . . 0.0 110.326 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . . . -73.96 134.26 78.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.84 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 33.4 Cg_exo -58.66 125.97 19.89 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 111.502 175.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -59.27 173.77 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.049 2.499 . . . . 0.0 112.848 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 28.6 t70 -46.41 115.18 2.99 Favored Pre-proline 0 C--O 1.237 0.399 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.01 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 17.6 Cg_exo -67.42 120.97 8.03 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.903 2.402 . . . . 0.0 111.092 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.2 m -104.68 132.1 51.33 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.16 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.3 t -95.33 112.77 28.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.083 0.468 . . . . 0.0 110.557 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' HD3' ' A' ' 26' ' ' ARG . 27.6 m-20 -107.05 155.18 20.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.821 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 56.18 72.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.696 0.622 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 23' ' ' ILE . 59.8 t -86.73 117.99 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -93.15 -159.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' HA ' ' OG1' ' B' ' 104' ' ' THR . 37.6 m-20 -78.34 -49.6 13.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.436 HG22 ' O ' ' B' ' 75' ' ' LEU . 33.3 p -122.86 11.22 9.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.252 -175.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 25.4 p -144.8 151.25 38.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.847 0.356 . . . . 0.0 111.229 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.69 HD11 HD12 ' B' ' 72' ' ' ILE . 19.0 pt -139.28 163.17 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -109.2 103.88 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.86 115.63 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.277 0.561 . . . . 0.0 109.519 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.489 ' HD3' ' OD2' ' A' ' 16' ' ' ASP . 68.6 mtp180 -111.41 141.48 44.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.038 -173.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 21.9 p90 -121.67 132.33 54.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 0.0 110.002 175.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 12.1 m -74.84 159.67 31.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.758 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -76.78 125.63 86.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.222 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.956 2.437 . . . . 0.0 112.102 -178.794 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.4 66.16 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.151 0.5 . . . . 0.0 109.677 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 156.35 26.29 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -78.1 115.45 17.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.2 m120 56.59 69.53 0.73 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.921 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.46 113.99 15.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.39 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' O ' ' HD3' ' B' ' 39' ' ' PRO . 72.7 Cg_exo -50.01 121.68 7.91 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.223 2.615 . . . . 0.0 112.986 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 41' ' ' HIS . 32.2 mm-40 -98.9 105.47 31.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.237 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' B' ' 37' ' ' PRO . 27.7 Cg_exo -62.16 -44.62 18.72 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.709 2.273 . . . . 0.0 111.521 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 36.0 p -63.68 -52.98 58.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.811 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' B' ' 90' ' ' GLN . 86.3 t60 51.8 79.53 0.1 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.168 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' B' ' 45' ' ' TYR . 3.2 mp -66.79 113.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 177.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.6 m -70.26 -39.13 75.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.7 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -165.03 151.79 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.728 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.455 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 87.6 m-85 -107.65 129.51 55.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.423 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.6 mp -105.72 117.08 50.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.038 0.447 . . . . 0.0 110.015 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.537 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -99.71 114.01 26.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.721 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 50.0 mtm180 -120.18 126.52 50.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.537 ' CE3' HD12 ' B' ' 47' ' ' LEU . 20.2 p90 -140.23 159.56 41.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.414 ' HG2' ' CZ3' ' B' ' 58' ' ' TRP . 21.9 ptt180 -157.5 145.63 14.16 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.536 175.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.405 ' HB2' ' OD1' ' B' ' 53' ' ' ASN . 41.8 Cg_endo -68.5 143.03 55.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.327 2.018 . . . . 0.0 111.46 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -61.01 -18.93 60.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.173 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.405 ' OD1' ' HB2' ' B' ' 51' ' ' PRO . 2.6 p-10 -84.37 -4.46 58.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.775 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -129.35 120.17 25.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.718 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -98.48 19.82 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.004 0.906 . . . . 0.0 109.882 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.77 -127.62 2.96 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.311 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.39 149.72 40.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.362 0.601 . . . . 0.0 112.166 -173.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.414 ' CZ3' ' HG2' ' B' ' 50' ' ' ARG . 86.3 m95 -91.95 131.53 37.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.355 172.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 58.5 mttm -77.3 134.75 38.44 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -114.17 138.82 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 111.902 -170.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.78 138.36 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 39.9 m -110.7 117.06 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.954 0.407 . . . . 0.0 110.773 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mp -112.2 132.15 22.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.192 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.71 138.06 59.33 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.644 2.229 . . . . 0.0 111.728 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.455 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -63.51 -12.26 45.32 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 113.141 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -75.14 -24.77 58.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.619 0.247 . . . . 0.0 111.026 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.11 155.01 20.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.822 0.344 . . . . 0.0 110.512 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.6 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 14.9 m120 -127.7 11.26 6.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 60.1 p -153.41 134.67 14.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.976 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -124.85 139.46 53.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.779 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 18.1 m -100.72 98.2 8.77 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.69 HD12 HD11 ' A' ' 23' ' ' ILE . 51.0 mt -70.62 129.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.727 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -122.43 140.54 52.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.95 15.97 27.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.512 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' THR . 82.4 mt -76.5 168.35 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 77' ' ' PRO . 52.0 mtmt -116.88 129.06 25.58 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.577 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 76' ' ' LYS . 17.0 Cg_exo -66.41 131.58 26.82 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.63 2.22 . . . . 0.0 111.972 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.8 4.32 72.78 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.573 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 62.2 t -114.24 135.79 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.64 145.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.655 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -126.54 152.52 46.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.317 0.579 . . . . 0.0 112.001 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -103.55 143.99 32.01 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.8 141.68 7.95 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.857 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -131.08 131.25 44.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.794 0.33 . . . . 0.0 110.3 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' B' ' 45' ' ' TYR . 3.2 tm? -92.95 107.58 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.483 HG23 HG22 ' B' ' 96' ' ' VAL . 15.1 mt -98.88 112.19 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.322 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.418 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 30.4 p -96.53 126.11 41.48 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 42.1 mm -103.44 111.5 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.414 ' HG2' HG13 ' B' ' 42' ' ' ILE . 72.9 mt-30 -98.54 179.12 4.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLN . . . . . 0.467 ' HB2' ' HB3' ' B' ' 41' ' ' HIS . 64.8 tt0 -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.492 -176.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.82 16.17 1.22 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.6 15.28 81.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.334 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.5 120.41 17.04 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.735 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -99.83 118.54 36.51 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 168.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.418 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 71.6 mm-40 -117.6 114.23 23.1 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.483 HG22 HG23 ' B' ' 86' ' ' ILE . 47.1 t -104.12 107.53 22.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.518 -175.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 10.9 m -99.02 109.29 22.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.921 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -79.39 133.61 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 -176.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -135.66 155.71 50.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.114 0.483 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.36 140.81 49.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.622 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -157.39 171.0 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.924 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -163.22 138.71 6.69 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.948 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.06 119.38 27.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.864 -177.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 42.7 m 76.27 -16.34 0.62 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 2.5 m -78.2 35.99 0.23 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.056 -0.402 . . . . 0.0 111.764 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 p -89.35 -9.38 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -81.32 55.81 2.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.728 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 12.3 p -80.87 147.19 61.4 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.07 89.16 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -114.65 -114.52 3.04 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.77 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t 56.32 41.64 28.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.286 0.565 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -105.66 6.78 32.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.285 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 16.2 m 62.67 24.95 14.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.459 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.9 49.14 2.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.995 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -113.19 20.79 15.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.026 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -112.13 38.56 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.826 0.822 . . . . 0.0 109.124 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -69.07 120.91 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.499 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -99.33 173.49 6.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.898 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.867 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -73.62 -48.61 31.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.083 0.468 . . . . 0.0 109.943 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -178.09 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.929 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.7 m -128.26 108.87 10.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.689 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.5 m -76.22 69.47 2.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.397 0.618 . . . . 0.0 110.977 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.53 ' N ' ' HD3' ' A' ' 7' ' ' PRO . . . -154.7 58.7 2.12 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.023 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -85.41 152.48 10.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.884 2.389 . . . . 0.0 111.597 178.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.72 -49.79 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.901 0.381 . . . . 0.0 111.185 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.01 141.03 24.88 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.95 127.35 23.99 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.905 2.404 . . . . 0.0 111.938 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -43.21 -61.4 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.742 2.962 . . . . 0.0 114.075 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -151.94 117.57 3.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.103 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 114.92 4.15 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.402 2.068 . . . . 0.0 110.296 170.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -110.03 141.76 42.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.478 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' B' ' 101' ' ' PHE . 86.4 t -95.86 112.22 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.521 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -121.68 166.94 13.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 52.98 61.53 3.13 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.839 0.712 . . . . 0.0 111.867 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.72 113.16 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.56 -150.35 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.66 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.83 -50.87 67.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER -148.28 36.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.49 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 p -144.91 143.8 30.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.205 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.571 HD11 HD12 ' B' ' 72' ' ' ILE . 11.0 pt -127.41 169.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -117.66 105.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 167.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 69' ' ' SER . 2.4 p -89.51 113.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.18 143.96 31.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.008 -173.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.5 p90 -143.75 146.76 33.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.972 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -97.03 111.92 23.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 7.0 ppt_? -70.58 149.59 95.47 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.895 2.396 . . . . 0.0 112.367 176.33 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.869 0.366 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -143.14 26.68 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.51 -162.44 10.31 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 m -85.74 -43.96 12.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.055 0.455 . . . . 0.0 110.581 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -130.65 140.41 50.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.83 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.91 125.04 58.48 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.147 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.64 107.55 1.07 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.322 2.015 . . . . 0.0 111.316 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 38' ' ' GLN . 16.1 mm-40 -97.03 114.14 64.17 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.236 -175.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.26 -23.11 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.403 2.069 . . . . 0.0 111.433 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 7' ' ' PRO . 8.9 m -89.28 21.41 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.098 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -86.25 131.97 34.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.818 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' B' ' 45' ' ' TYR . 1.7 mp -88.41 134.47 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.778 -176.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.4 p -86.84 -34.74 19.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.878 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -164.86 153.25 12.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.43 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.47 ' HB2' ' HB ' ' B' ' 63' ' ' ILE . 41.9 m-85 -110.4 130.81 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.412 HD12 ' N ' ' B' ' 46' ' ' ILE . 2.5 mp -104.96 112.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.432 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -99.39 118.0 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.498 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 41.0 mtm180 -128.38 130.59 47.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.432 ' CE3' HD12 ' B' ' 47' ' ' LEU . 22.4 p90 -137.77 145.72 42.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.861 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 17.7 ptt180 -135.08 133.17 20.62 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.291 176.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 7.5 Cg_exo -72.3 135.23 24.29 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.469 2.112 . . . . 0.0 110.975 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -63.3 -22.66 67.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.785 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -81.94 -11.55 58.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.831 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.2 m -100.55 142.73 31.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.859 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.31 15.54 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.896 0.855 . . . . 0.0 110.307 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.84 -128.74 3.25 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.918 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -103.43 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.971 0.415 . . . . 0.0 111.196 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -77.61 129.91 36.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.231 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 55.1 mtpt -78.0 128.25 33.59 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -117.4 149.26 40.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.538 . . . . 0.0 111.909 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.18 149.91 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.514 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -112.48 124.07 51.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.916 0.388 . . . . 0.0 110.644 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.47 ' HB ' ' HB2' ' B' ' 45' ' ' TYR . 4.5 mp -113.32 128.14 26.02 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.862 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.57 139.78 37.61 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.978 2.452 . . . . 0.0 112.198 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -75.65 52.93 2.81 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.383 -174.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -161.9 21.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.431 HD12 HG23 ' B' ' 63' ' ' ILE . 69.3 mt -117.11 162.97 16.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.55 -1.41 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 38.2 p -157.33 158.97 37.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.043 0.449 . . . . 0.0 111.67 -177.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -142.93 137.84 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.184 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 30.6 m -87.55 99.58 12.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.571 HD12 HD11 ' A' ' 23' ' ' ILE . 49.2 mt -82.44 121.11 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.15 131.16 55.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.82 0.343 . . . . 0.0 110.394 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.98 20.01 5.79 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.204 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' THR . 29.4 mt -103.96 123.19 46.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 110.79 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.53 121.95 67.76 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.212 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.29 118.59 5.48 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.409 2.073 . . . . 0.0 111.735 177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.26 -19.28 22.59 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.52 134.48 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.3 t -79.97 114.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.239 0.542 . . . . 0.0 111.321 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -111.97 136.5 51.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.815 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -103.55 133.32 48.78 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.75 160.53 27.98 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.601 -1.285 . . . . 0.0 113.292 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -137.5 134.67 36.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.497 -0.351 . . . . 0.0 110.391 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.428 HD23 HD23 ' B' ' 47' ' ' LEU . 3.3 tm? -101.73 102.21 12.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 4.2 mp -98.73 113.55 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 17.0 m -97.35 132.05 43.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.553 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.9 mm -99.48 126.52 52.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.58 -177.99 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.98 0.419 . . . . 0.0 112.032 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -53.51 -44.99 69.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.905 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -86.34 13.25 8.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.496 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.51 17.2 79.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.991 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.35 129.13 35.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -99.14 121.55 41.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 0.0 110.748 -176.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 69.2 mm-40 -106.62 114.33 28.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.618 175.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 49.7 t -104.32 107.44 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.911 0.386 . . . . 0.0 110.806 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 13.8 m -106.52 111.92 24.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -86.56 149.16 25.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.426 -174.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -150.91 176.83 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.979 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -144.03 169.96 16.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.508 ' CD1' HG11 ' A' ' 15' ' ' VAL . 33.0 t80 -131.02 134.38 46.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 110.694 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.4 p 41.02 47.4 2.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 8.6 m -96.32 -33.39 11.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 11.3 m -81.95 66.31 7.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.616 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 20.0 m -91.26 30.49 1.26 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.81 56.56 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.192 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -77.02 -41.53 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 29.3 m -137.55 81.84 29.04 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.515 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.07 144.14 18.43 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.033 2.488 . . . . 0.0 112.245 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.66 116.76 4.3 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.73 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 5.0 p -92.31 -54.5 3.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 56.31 74.43 0.39 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.45 0.469 . . . . 0.0 110.494 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 11.1 p -63.25 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.345 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.37 -9.9 59.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.415 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.66 15.91 22.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.36 . . . . 0.0 110.718 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -120.5 105.64 11.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -70.28 -28.59 65.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.401 . . . . 0.0 110.408 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -80.38 75.77 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.158 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.276 178.32 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -97.8 -48.98 4.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.612 0.244 . . . . 0.0 110.622 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -78.82 99.15 6.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 0.0 110.724 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 m -125.54 96.88 4.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.135 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -75.36 146.7 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.018 0.437 . . . . 0.0 110.245 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.556 ' H ' ' CD ' ' A' ' 7' ' ' PRO . . . -147.55 -46.88 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.059 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' CD ' ' H ' ' A' ' 6' ' ' ALA . 37.3 Cg_exo -62.06 106.51 0.47 Allowed 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.814 1.676 . . . . 0.0 112.58 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -98.63 16.64 21.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.486 0.66 . . . . 0.0 110.131 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.88 135.74 21.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.054 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.92 123.36 11.81 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 0.0 111.408 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -52.4 153.04 14.31 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.993 2.462 . . . . 0.0 112.484 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.9 m-20 -44.67 116.05 2.57 Favored Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.952 -176.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 36.6 Cg_exo -62.1 147.51 94.95 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.287 2.658 . . . . 0.0 112.677 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -111.18 138.5 47.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.0 t -101.63 120.87 51.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.78 0.324 . . . . 0.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.38 167.13 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 47.81 70.79 0.39 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.104 0.878 . . . . 0.0 111.707 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 p -86.63 121.07 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.271 0.558 . . . . 0.0 110.887 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -97.82 -157.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.78 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.62 -48.87 65.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.287 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 22.4 p -135.29 22.98 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.097 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 12.3 p -144.73 146.92 32.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.726 0.298 . . . . 0.0 111.622 -178.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.618 HD11 HD12 ' B' ' 72' ' ' ILE . 17.7 pt -135.88 160.23 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.999 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -106.25 105.54 18.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p -100.73 120.15 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.483 . . . . 0.0 109.872 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -126.63 154.98 43.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.211 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' B' ' 68' ' ' ASN . 35.9 p90 -142.89 164.84 29.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.409 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 149.33 21.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.343 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 14.0 mmm180 -74.19 138.43 75.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.995 176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 29' ' ' ARG . 8.6 Cg_exo . . . . . 0 C--O 1.245 0.872 0 C-N-CA 122.474 2.116 . . . . 0.0 111.789 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 91.1 mtp . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 52.47 42.67 31.33 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.537 . . . . 0.0 110.967 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.39 55.39 0.46 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -136.34 40.41 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.929 0.395 . . . . 0.0 110.125 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 m120 56.99 61.41 2.6 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.262 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.86 85.79 0.17 Allowed Pre-proline 0 C--O 1.235 0.323 0 O-C-N 123.784 0.677 . . . . 0.0 110.042 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.91 84.26 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.062 2.508 . . . . 0.0 113.152 -176.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' B' ' 41' ' ' HIS . 48.2 mt-30 -105.63 113.3 64.21 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.971 175.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.36 -37.23 97.37 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.66 2.24 . . . . 0.0 111.021 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.0 t -87.28 61.01 6.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.482 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' B' ' 38' ' ' GLN . 6.9 t-80 -110.81 87.71 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.507 HG21 ' CE1' ' B' ' 45' ' ' TYR . 3.6 mp -87.35 132.31 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.859 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -88.42 -37.65 15.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.318 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -161.38 151.81 17.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' HG21 ' B' ' 42' ' ' ILE . 67.2 m-85 -110.4 137.93 47.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 3.0 mp -110.74 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.39 121.59 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 53.4 mtm180 -127.38 133.34 50.04 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.517 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.8 p90 -132.14 147.66 52.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.222 0.534 . . . . 0.0 111.49 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 56.8 ttp180 -145.22 134.41 11.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.912 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.88 135.15 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.452 2.101 . . . . 0.0 111.895 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.432 ' HG3' ' CG1' ' B' ' 80' ' ' VAL . 42.2 mmtt -62.72 -32.26 73.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.399 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -92.5 -14.27 28.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.639 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -129.06 117.19 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.441 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 9.5 p -70.62 -41.03 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.43 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 33.91 -110.56 0.06 OUTLIER Glycine 0 C--N 1.341 0.855 0 O-C-N 124.151 0.907 . . . . 0.0 114.196 173.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 0.3 OUTLIER -154.32 154.68 33.77 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.04 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 62.0 mttp -92.77 130.68 38.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.4 ' HG2' ' HD2' ' B' ' 48' ' ' ARG . 27.0 mt-10 -115.25 124.41 51.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 0.0 111.157 -173.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 137.66 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.279 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 33.5 m -103.55 121.3 42.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.081 0.467 . . . . 0.0 111.067 -178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.5 mp -111.83 129.81 23.82 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.436 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.15 136.48 24.22 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.687 2.258 . . . . 0.0 111.879 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -74.37 49.91 1.99 Allowed Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.533 -0.365 . . . . 0.0 113.904 -172.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -168.15 30.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.734 0.302 . . . . 0.0 110.835 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -117.69 -52.74 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.678 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.584 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 3.9 m-20 63.81 27.68 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.667 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 13.7 p -156.59 133.25 10.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.09 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' B' ' 63' ' ' ILE . 49.4 t80 -147.71 140.26 24.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 21.6 m -104.48 98.9 8.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.377 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.618 HD12 HD11 ' A' ' 23' ' ' ILE . 44.9 mt -70.7 129.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.794 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -123.11 124.69 43.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 0.0 110.705 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.64 4.28 6.87 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.227 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' THR . 86.3 mt -74.47 122.85 23.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.37 130.97 83.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.21 120.15 7.27 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.763 2.308 . . . . 0.0 111.915 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.65 -17.46 39.25 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.858 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.43 133.06 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.538 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' B' ' 102' ' ' THR . 17.7 t -89.2 146.28 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -127.62 156.1 42.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.685 0.755 . . . . 0.0 112.562 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 5.4 mm-40 -102.43 121.34 42.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.757 171.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.56 146.33 18.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.366 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -142.37 135.48 28.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.924 0.392 . . . . 0.0 110.84 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.2 tm? -108.89 117.49 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.363 177.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.474 HG23 HG22 ' B' ' 96' ' ' VAL . 12.3 mt -106.61 115.03 47.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.9 p -94.8 115.43 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.982 0.42 . . . . 0.0 111.123 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.26 103.27 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.023 0.439 . . . . 0.0 110.125 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 161.44 14.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.733 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -65.47 -12.05 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.363 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -92.42 -3.34 55.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.057 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.53 8.74 86.62 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.094 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -81.2 117.38 21.68 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -106.37 119.19 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.23 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -110.87 124.7 52.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.474 HG22 HG23 ' B' ' 86' ' ' ILE . 39.3 t -111.34 106.82 21.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 -178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.052 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -90.88 146.96 23.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -143.24 158.21 43.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.424 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.75 131.15 55.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.69 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -155.7 167.66 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.943 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.433 ' HB ' HG13 ' B' ' 80' ' ' VAL . 9.9 t -159.01 145.67 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.564 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.93 93.46 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 172.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -96.51 136.26 37.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.852 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -110.86 -55.7 2.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.786 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.6 p -84.78 67.87 10.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.405 0.622 . . . . 0.0 111.17 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -94.74 71.53 3.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.169 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -136.43 75.14 52.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.636 0.731 . . . . 0.0 110.969 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.11 162.94 40.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.03 2.487 . . . . 0.0 111.748 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.7 41.56 4.11 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.2 t -60.96 -26.69 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.344 -0.428 . . . . 0.0 111.738 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -69.46 -40.91 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.2 m -87.73 -22.7 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.534 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -72.77 100.5 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -93.71 67.89 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.862 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -100.58 -84.9 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.894 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.7 m80 50.52 36.7 14.15 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.759 0.662 . . . . 0.0 111.086 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -114.09 136.46 52.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.213 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.978 179.346 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -120.98 120.18 34.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 58.86 29.03 18.28 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.817 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p -96.86 -50.87 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 m -91.76 108.3 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.89 89.96 3.95 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.685 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.18 -14.95 45.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.87 2.38 . . . . 0.0 113.41 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.443 ' HB3' ' NE2' ' B' ' 89' ' ' GLN . 15.3 m-20 -99.1 -6.82 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -110.06 140.18 22.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.389 -175.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 32.3 Cg_exo -59.66 120.35 8.12 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.518 2.145 . . . . 0.0 111.737 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HD2' ' O ' ' A' ' 28' ' ' SER . 86.3 Cg_exo -45.18 -67.77 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.586 2.857 . . . . 0.0 113.739 -172.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 26.3 t70 -140.0 115.65 7.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.82 -177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 5.7 Cg_exo -78.97 132.87 10.8 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.959 2.439 . . . . 0.0 111.447 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.3 p -109.23 143.04 39.21 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' B' ' 101' ' ' PHE . 55.4 t -102.92 110.66 30.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.528 174.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.65 162.07 22.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.245 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 51.76 72.77 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.483 0.489 . . . . 0.0 111.977 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -87.75 121.64 38.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.047 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -102.08 -159.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.375 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.4 -52.53 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.425 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.55 32.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.462 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 15.6 p -147.05 149.47 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.69 0.281 . . . . 0.0 111.277 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.618 HD11 HD12 ' B' ' 72' ' ' ILE . 18.7 pt -131.84 164.59 34.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.423 HG11 ' HE ' ' A' ' 26' ' ' ARG . 39.7 t -112.43 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 169.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.18 117.8 37.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HE ' HG11 ' A' ' 24' ' ' VAL . 82.0 mtt180 -122.84 143.69 49.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.413 -176.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 12.5 p90 -125.63 137.23 53.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.987 0.422 . . . . 0.0 110.921 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 14.9 m -85.95 137.25 32.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.279 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 mmm-85 -75.13 136.69 72.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.114 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 123.019 2.479 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mmm . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.809 0.338 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -165.46 68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.537 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.25 5.34 11.06 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.408 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 14.8 t -98.76 97.05 8.32 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -133.89 86.99 2.33 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . . . -121.6 102.38 42.11 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 36' ' ' ALA . 32.7 Cg_endo -64.53 139.41 64.2 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.618 2.212 . . . . 0.0 112.104 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -81.09 119.54 76.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.03 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.3 -21.85 40.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.969 2.446 . . . . 0.0 111.894 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -80.61 74.9 7.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.613 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -139.43 141.87 37.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.66 124.62 37.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.261 0.553 . . . . 0.0 110.448 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -74.13 -40.76 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.717 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -162.94 147.46 11.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.587 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 26.4 m-85 -103.46 136.55 43.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.1 mp -110.68 119.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 120.918 0.389 . . . . 0.0 109.959 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.426 HD23 HD23 ' B' ' 85' ' ' LEU . 0.4 OUTLIER -101.93 117.38 34.7 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.06 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.659 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 60.3 mtm180 -117.6 127.35 53.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.363 176.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.651 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 27.7 p90 -127.65 139.86 52.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.351 0.596 . . . . 0.0 111.256 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 4.7 tmm_? -137.87 130.78 16.64 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.186 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.487 ' HB2' ' HB2' ' B' ' 54' ' ' SER . 23.5 Cg_exo -61.3 117.01 3.77 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.321 2.014 . . . . 0.0 111.418 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.545 ' CB ' HG23 ' B' ' 80' ' ' VAL . 5.9 tmtp? -58.79 -40.85 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.096 -171.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.403 ' OD1' HG13 ' B' ' 79' ' ' VAL . 4.1 p-10 -87.55 -6.4 58.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.681 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' B' ' 51' ' ' PRO . 5.4 m -109.78 158.04 18.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.158 0.504 . . . . 0.0 110.839 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.93 30.95 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 122.138 0.97 . . . . 0.0 110.086 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.86 177.81 51.59 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.421 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 7.4 mpt_? -99.49 168.77 9.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.62 114.96 20.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.856 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.659 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 7.5 mtpm? -79.87 139.11 37.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -113.39 138.34 50.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.148 0.499 . . . . 0.0 111.753 -172.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.95 132.67 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.121 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 87.2 m -99.05 118.04 34.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.38 . . . . 0.0 110.68 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.9 mp -110.35 115.6 54.06 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.843 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -47.36 139.69 16.38 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 122.856 2.371 . . . . 0.0 111.999 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.93 52.88 2.52 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 116.035 -0.53 . . . . 0.0 114.277 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -163.17 15.23 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.55 -51.87 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.458 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 5.5 m-20 70.46 14.41 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.028 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 36.7 p -148.64 141.43 24.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.455 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' TYR . . . . . 0.475 ' HB2' HG12 ' B' ' 63' ' ' ILE . 70.9 t80 -143.72 134.43 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.565 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 46.3 m -92.41 99.57 12.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.096 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.618 HD12 HD11 ' A' ' 23' ' ' ILE . 34.1 mt -76.08 121.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.46 144.97 41.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.942 0.401 . . . . 0.0 110.727 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.69 46.51 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.994 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.67 124.55 28.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.852 0.358 . . . . 0.0 110.691 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -91.55 122.19 66.2 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.125 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.81 125.08 16.3 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.82 -21.99 30.94 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.528 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.403 HG13 ' OD1' ' B' ' 53' ' ' ASN . 86.1 t -98.56 117.58 43.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.545 HG23 ' CB ' ' B' ' 52' ' ' LYS . 27.0 m -80.64 132.93 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.231 0.538 . . . . 0.0 110.4 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' B' ' 100' ' ' ASP . 95.1 m-85 -114.11 149.77 35.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.598 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 13.4 mm-40 -101.44 123.81 46.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.85 127.94 8.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.469 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -116.15 114.24 24.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.426 HD23 HD23 ' B' ' 47' ' ' LEU . 3.3 tm? -94.91 112.22 23.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 10.6 mt -110.55 113.7 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 24.9 m -95.59 126.3 40.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 39.3 mm -105.84 121.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' A' ' 8' ' ' ASP . 79.6 mt-30 -96.33 170.93 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.618 175.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.61 -21.8 66.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.166 0.508 . . . . 0.0 110.31 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -73.47 -11.44 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.156 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.66 7.18 88.43 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.57 -174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -79.42 125.85 30.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -107.75 128.63 54.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 64.6 mm-40 -115.19 129.13 56.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.866 174.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.457 HG22 HG23 ' B' ' 86' ' ' ILE . 36.6 t -119.83 107.69 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 0.0 111.019 -175.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.7 m -92.76 111.54 23.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -86.92 132.06 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -157.53 -178.72 7.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.126 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 81' ' ' TYR . 6.8 p-10 -148.05 166.41 27.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.555 ' HB3' HG21 ' A' ' 15' ' ' VAL . 22.7 p90 -153.14 176.98 11.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 18.5 m 63.1 79.55 0.26 Allowed 'General case' 0 N--CA 1.458 -0.059 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.357 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 4.6 m 70.61 55.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.064 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 97.3 m -49.24 130.45 19.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.538 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 9.4 p -110.58 -65.55 1.15 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.662 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 28.3 m 61.48 105.61 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.51 0.672 . . . . 0.0 111.741 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -78.41 67.4 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.031 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.615 ' OG1' ' HD3' ' B' ' 109' ' ' PRO . 1.1 p -129.48 -50.19 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 175.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' PRO . . . . . 0.615 ' HD3' ' OG1' ' B' ' 108' ' ' THR . 40.3 Cg_exo -58.13 124.24 15.47 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.845 1.696 . . . . 0.0 111.861 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 -148.15 19.49 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.7 t -78.28 -66.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 56.08 59.97 3.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.027 0.442 . . . . 0.0 111.089 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 66.9 m -81.02 117.23 21.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.951 0.405 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -97.76 99.39 10.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.301 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' B' ' 116' ' ' HIS . 58.2 m80 63.6 60.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.385 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' B' ' 115' ' ' HIS . 11.1 m-70 70.89 106.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.669 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -147.52 -50.83 0.19 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.087 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -86.4 103.39 14.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.079 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.4 m80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.999 178.418 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t 72.86 130.28 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.193 0.597 . . . . 0.0 111.575 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -94.27 0.91 55.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.226 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -87.92 14.1 9.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.472 0.653 . . . . 0.0 110.149 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 t -64.87 -34.33 78.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.689 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -136.08 83.4 33.7 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.091 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.94 89.85 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.953 2.436 . . . . 0.0 111.96 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -91.26 -16.1 28.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.305 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.34 149.96 36.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 35.5 Cg_exo -61.79 138.08 72.11 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.794 2.329 . . . . 0.0 111.657 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 28' ' ' SER . 22.0 Cg_exo -65.22 -165.47 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.087 2.524 . . . . 0.0 112.815 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.7 118.06 9.31 Favored Pre-proline 0 N--CA 1.466 0.343 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.18 118.72 4.78 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.847 2.365 . . . . 0.0 110.255 167.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -98.06 133.93 41.85 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.041 0.448 . . . . 0.0 110.332 -174.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.22 110.53 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.836 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.64 121.65 44.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' H ' ' CD ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 111.047 -176.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.65 -12.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 13.0 t70 -149.51 -168.21 3.04 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' H ' ' CG ' ' A' ' 19' ' ' ASP . 5.9 m-20 -79.68 -53.03 7.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.151 0.5 . . . . 0.0 109.946 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 7.0 p -106.81 16.95 23.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.358 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 p -147.4 140.09 24.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.247 0.546 . . . . 0.0 111.724 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.535 HD11 HD12 ' B' ' 72' ' ' ILE . 21.9 pt -122.51 166.31 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.495 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.77 105.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 166.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -90.88 116.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.774 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -118.63 125.22 49.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 -176.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.487 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 31.3 p90 -111.11 143.29 42.07 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 15.4 m -74.99 145.03 42.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.536 177.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -70.1 132.94 87.99 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.87 0.367 . . . . 0.0 110.498 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.898 3.066 . . . . 0.0 112.106 178.807 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.547 0.213 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -132.13 88.39 2.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.705 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 88.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.709 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.3 m -121.82 82.79 2.0 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.952 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -77.22 119.81 21.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.99 104.83 45.58 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.739 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.78 53.89 4.26 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.825 2.35 . . . . 0.0 111.094 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -54.21 143.71 43.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.779 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.9 157.27 57.58 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 123.249 2.633 . . . . 0.0 112.826 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m 58.03 35.71 25.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.956 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -89.64 113.75 25.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.78 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.552 HG21 ' CE2' ' B' ' 45' ' ' TYR . 2.1 mp -83.93 123.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -80.02 -46.21 17.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.44 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -157.18 147.33 20.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 111.175 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' B' ' 42' ' ' ILE . 77.2 m-85 -105.34 131.04 53.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.193 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.415 HD12 ' N ' ' B' ' 46' ' ' ILE . 3.0 mp -105.78 117.8 52.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -96.11 113.95 25.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 91.8 mtt180 -111.01 129.96 55.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.728 177.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 20.9 p90 -142.65 152.56 42.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.854 0.359 . . . . 0.0 110.624 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 6.8 ptt180 -161.53 159.48 23.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -62.1 130.37 30.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.182 1.921 . . . . 0.0 110.972 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.649 ' HB3' HG13 ' B' ' 80' ' ' VAL . 14.9 tmtt? -77.87 -15.55 58.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.342 -173.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -65.98 -27.91 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 110.81 -178.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -142.47 -168.72 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.556 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 2.6 p -96.48 -53.17 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.902 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 54.7 -120.35 16.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.435 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.478 ' CE3' ' HB3' ' B' ' 48' ' ' ARG . 81.6 m95 -83.63 117.52 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 97.2 mttt -76.05 129.36 36.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.529 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.4 mt-10 -119.06 132.62 56.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.911 0.386 . . . . 0.0 111.285 -173.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.14 129.7 51.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -102.68 112.09 24.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.118 0.485 . . . . 0.0 110.717 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.82 123.69 35.62 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.917 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.78 142.14 19.57 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.864 2.376 . . . . 0.0 111.909 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.537 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -73.94 50.26 1.87 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 113.965 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -166.75 26.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.642 0.258 . . . . 0.0 110.84 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.5 mt -120.0 -47.95 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.157 0.503 . . . . 0.0 110.16 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.487 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 72.2 m-20 66.25 25.92 10.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.159 171.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.5 p -156.87 138.37 13.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.888 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -141.17 143.17 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.783 0.325 . . . . 0.0 110.349 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 28.2 m -98.01 101.14 12.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.98 0.419 . . . . 0.0 110.398 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 23' ' ' ILE . 44.9 mt -82.51 116.29 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.002 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -107.27 129.68 54.85 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.185 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.11 25.02 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 21' ' ' THR . 58.5 mt -103.66 122.96 46.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 110.277 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -99.74 121.96 52.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.724 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.11 119.47 6.73 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.742 2.294 . . . . 0.0 111.682 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.61 -18.02 25.18 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.85 126.27 52.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.649 HG13 ' HB3' ' B' ' 52' ' ' LYS . 7.2 p -77.69 129.4 37.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 0.0 111.275 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -124.35 147.53 48.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 10.5 mm-40 -102.42 130.75 49.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.149 175.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.25 146.81 18.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.411 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.505 ' HG3' ' HB2' ' B' ' 48' ' ' ARG . 7.9 pt20 -150.2 137.6 19.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.044 0.449 . . . . 0.0 110.908 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.2 tm? -105.54 107.62 18.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.378 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.464 HG23 HG22 ' B' ' 96' ' ' VAL . 4.0 mp -99.52 116.43 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.8 m -96.76 120.45 37.11 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.74 112.65 31.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -94.75 170.54 9.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.972 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.65 -39.71 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.758 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -72.46 -18.73 61.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.127 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.08 -2.11 65.66 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.189 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -69.82 120.56 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -92.25 121.06 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.685 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -115.49 121.58 43.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.917 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.464 HG22 HG23 ' B' ' 86' ' ' ILE . 44.0 t -113.81 123.27 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 0.0 111.248 -174.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 10.3 m -111.09 109.31 19.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.704 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -88.12 150.71 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.008 0.432 . . . . 0.0 111.601 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -150.2 176.56 10.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.758 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.98 142.84 34.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -129.09 144.24 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.069 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 29.1 m -151.32 -38.34 0.12 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.269 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 14.9 t -168.85 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.605 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m 56.05 67.27 1.03 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.818 0.818 . . . . 0.0 110.284 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -85.56 108.89 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.89 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.1 p -95.12 23.57 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.995 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 t 74.42 -49.73 0.67 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.449 0.7 . . . . 0.0 112.243 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 3.1 m -58.6 -53.33 67.28 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 108' ' ' THR . 39.6 Cg_endo -66.51 -9.69 25.08 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.149 1.899 . . . . 0.0 112.351 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -66.56 -17.7 67.05 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.737 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.2 m -81.97 35.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 51.9 52.38 14.6 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.585 0.707 . . . . 0.0 109.825 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.8 t -127.45 85.33 2.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.127 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -119.14 82.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -85.09 118.13 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.039 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -108.9 56.63 0.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.179 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -77.01 75.77 3.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.728 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -92.62 131.65 37.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.242 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 42.5 t60 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.932 0.77 . . . . 0.0 110.553 177.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -90.92 109.45 20.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.953 0.406 . . . . 0.0 110.494 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.535 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 52.7 mt-30 -79.98 -5.26 55.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 t -77.14 -23.14 51.7 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.836 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 p -109.58 5.0 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.224 0.535 . . . . 0.0 110.607 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.37 -46.71 4.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.355 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 3' ' ' GLN . 7.5 Cg_exo -73.45 129.51 13.89 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.92 1.747 . . . . 0.0 111.883 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -102.23 50.26 0.84 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.91 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.71 133.66 46.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.593 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.77 133.94 61.21 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.572 2.181 . . . . 0.0 111.733 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -43.31 -59.78 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.42 2.747 . . . . 0.0 113.182 -174.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -156.96 114.9 1.99 Allowed Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.178 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.17 115.72 4.39 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.412 2.074 . . . . 0.0 110.712 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -105.45 142.53 35.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.09 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG21 ' CB ' ' B' ' 101' ' ' PHE . 69.1 t -96.42 120.36 45.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.699 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' OD2' ' HG3' ' A' ' 17' ' ' GLN . 27.9 t70 -127.99 142.12 51.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 -176.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' OD2' ' A' ' 16' ' ' ASP . 77.1 mt-30 60.75 85.99 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.836 0.71 . . . . 0.0 112.527 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.18 113.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.634 0.731 . . . . 0.0 110.223 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -87.28 -159.48 0.52 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.326 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.61 -46.88 83.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.617 0.246 . . . . 0.0 110.44 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p -150.2 38.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.276 0.56 . . . . 0.0 109.9 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 14.8 m -144.59 157.4 44.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' B' ' 71' ' ' THR . 20.3 pt -135.41 161.82 38.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.73 104.34 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 168.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' B' ' 69' ' ' SER . 2.3 p -91.85 119.95 40.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -114.72 143.19 45.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.825 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.502 ' O ' ' HB3' ' B' ' 68' ' ' ASN . 48.5 p90 -149.48 151.84 34.62 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -111.97 130.38 55.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.441 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 155.47 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.746 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.533 2.155 . . . . 0.0 112.182 178.71 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.793 0.33 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -108.29 145.19 34.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.229 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.34 -133.79 2.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.78 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -79.61 -53.38 6.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.73 0.3 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -117.75 30.17 7.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 110.704 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 51.16 68.78 3.02 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.664 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.93 99.97 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.717 2.278 . . . . 0.0 111.589 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' B' ' 39' ' ' PRO . 49.6 mt-30 -118.6 135.5 23.69 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.412 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' B' ' 91' ' ' TYR . 52.7 Cg_exo -56.68 -25.67 61.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.091 2.527 . . . . 0.0 111.963 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -70.79 86.4 0.68 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.948 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -164.16 89.02 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.396 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' B' ' 45' ' ' TYR . 3.2 mp -77.27 124.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.597 . . . . 0.0 110.514 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -79.98 -44.12 20.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.201 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -162.27 157.09 22.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.775 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' B' ' 42' ' ' ILE . 79.5 m-85 -114.37 133.81 55.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.07 121.06 60.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.09 115.01 28.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.084 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.514 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 98.2 mtt180 -112.59 132.6 55.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.015 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.602 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 34.9 p90 -141.43 149.82 41.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 178.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 14.7 ptt180 -152.27 156.24 33.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.592 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.6 116.4 3.26 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.293 1.995 . . . . 0.0 111.221 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' B' ' 80' ' ' VAL . 14.7 tmtt? -68.02 -26.97 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -172.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -72.39 -11.26 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.59 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 44.9 m -139.37 -166.69 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.69 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 14.8 p -91.02 -36.15 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 172.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.33 -143.74 21.2 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.285 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -138.36 137.81 37.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.453 ' CZ2' ' HD3' ' B' ' 50' ' ' ARG . 97.8 m95 -79.44 116.15 19.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.656 0.265 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 63.9 mttp -88.75 137.52 32.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.514 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 28.2 mt-10 -115.23 124.28 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.406 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.72 136.13 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.796 173.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -102.64 116.55 32.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.912 0.387 . . . . 0.0 110.541 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.6 mp -109.63 125.72 30.67 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.912 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' PRO . . . . . 0.41 ' HD2' HD12 ' B' ' 67' ' ' LEU . 64.6 Cg_exo -52.14 138.01 54.13 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.506 2.137 . . . . 0.0 111.656 174.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.447 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.43 49.67 1.98 Allowed Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 113.545 -173.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -159.91 6.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.502 0.192 . . . . 0.0 111.204 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.41 HD12 ' HD2' ' B' ' 64' ' ' PRO . 60.4 mt -95.24 -48.5 5.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.605 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 42.8 m-80 62.89 23.1 13.81 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.003 -0.999 . . . . 0.0 112.14 174.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.6 p -164.39 142.34 6.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.19 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' TYR . . . . . 0.411 ' HB2' HG12 ' B' ' 63' ' ' ILE . 66.4 t80 -145.23 142.48 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.782 0.325 . . . . 0.0 111.082 -176.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 23.2 m -95.43 99.26 11.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.022 175.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' A' ' 22' ' ' SER . 42.4 mt -77.47 111.96 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -104.29 121.07 42.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.928 0.394 . . . . 0.0 110.248 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.86 19.05 2.05 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.951 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.9 mt -101.65 129.63 47.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -88.12 121.22 70.65 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.513 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.55 122.35 11.35 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.861 2.374 . . . . 0.0 112.437 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.32 -12.93 51.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.112 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 86.9 t -94.14 129.6 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' B' ' 52' ' ' LYS . 7.1 p -76.91 130.44 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 0.0 110.466 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' B' ' 101' ' ' PHE . 87.3 m-85 -122.66 154.45 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.054 0.454 . . . . 0.0 111.33 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 13.4 mm-40 -102.8 124.54 48.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.023 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.4 143.78 17.73 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.289 -177.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -132.69 124.32 27.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -102.19 108.7 20.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.41 HG23 HG22 ' B' ' 96' ' ' VAL . 13.4 mt -100.94 106.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.305 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 5.6 p -87.7 112.97 22.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.097 0.475 . . . . 0.0 110.738 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -94.66 113.2 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.865 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -100.94 161.49 13.55 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -47.13 -43.81 21.05 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.891 0.745 . . . . 0.0 112.82 -172.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' ' 39' ' ' PRO . 41.0 m-85 -80.21 15.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.98 19.27 78.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.148 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.84 120.05 25.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -114.96 120.5 40.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.798 0.332 . . . . 0.0 110.305 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.96 116.82 31.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.192 176.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.41 HG22 HG23 ' B' ' 86' ' ' ILE . 44.1 t -97.22 106.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.799 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 7.0 m -93.01 108.87 20.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.59 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -88.67 132.71 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.145 0.498 . . . . 0.0 111.11 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -145.09 178.51 8.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.717 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -143.41 153.87 43.11 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.48 ' CB ' HG21 ' A' ' 15' ' ' VAL . 36.9 p90 -150.43 148.9 29.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.327 0.584 . . . . 0.0 111.694 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 5.1 m -155.15 -49.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.919 -1.037 . . . . 0.0 108.781 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 84.9 m -156.94 127.45 6.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.827 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 7.6 m -69.34 91.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.91 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -82.23 55.12 2.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.35 0.595 . . . . 0.0 111.605 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.7 t -91.53 142.22 27.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.718 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.5 m 57.02 63.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.163 0.506 . . . . 0.0 111.153 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.5 t -120.76 86.59 41.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.492 0.663 . . . . 0.0 110.609 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.53 69.52 6.74 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.859 2.373 . . . . 0.0 111.799 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.48 105.79 1.55 Allowed Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.19 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.7 m -70.93 89.83 0.79 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.804 0.335 . . . . 0.0 110.291 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -76.9 66.13 2.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.792 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.9 t -76.09 -23.13 54.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.98 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -87.0 56.38 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.185 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -123.53 79.6 1.71 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.588 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -105.62 63.84 0.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -81.15 71.5 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.281 0.562 . . . . 0.0 110.335 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -138.07 11.96 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.395 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.577 -0.725 . . . . 0.0 109.98 -178.595 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -71.37 -45.3 63.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -84.05 106.66 15.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -69.24 123.8 22.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.411 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.6 p -67.93 -29.46 68.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.145 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.05 105.97 31.56 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.67 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.13 -22.71 53.94 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.549 2.166 . . . . 0.0 112.933 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.04 -1.18 57.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.718 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -83.02 142.27 44.35 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.293 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 13.0 Cg_exo -68.81 120.81 7.69 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.616 2.211 . . . . 0.0 111.064 173.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 42.9 Cg_exo -57.23 -40.03 85.63 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.064 2.509 . . . . 0.0 112.85 -177.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -158.06 115.54 1.8 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.329 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.0 114.28 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.323 2.015 . . . . 0.0 110.882 170.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -107.03 141.06 38.84 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' B' ' 105' ' ' SER . 1.1 m -104.85 135.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-O 121.394 0.616 . . . . 0.0 111.114 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -122.41 176.64 5.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.694 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 15.9 mm-40 52.19 71.03 0.49 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.916 0.76 . . . . 0.0 112.223 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 m -82.16 116.55 26.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.453 0.644 . . . . 0.0 110.952 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -98.21 -159.82 0.76 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -37.05 80.3 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 118.487 0.585 . . . . 0.0 110.478 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 1.2 p -149.86 25.04 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.468 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.0 m -136.74 143.55 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.264 -0.272 . . . . 0.0 110.824 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.503 HD11 HD12 ' B' ' 72' ' ' ILE . 21.7 pt -130.24 162.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.25 104.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 1.4 p -89.74 120.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.176 0.512 . . . . 0.0 109.841 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -117.58 130.7 56.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.004 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -125.91 126.55 44.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.13 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -112.79 108.98 18.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.795 0.331 . . . . 0.0 110.201 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 3.6 ppt_? -93.64 152.82 41.11 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 175.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 29' ' ' ARG . 2.5 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.674 2.25 . . . . 0.0 111.999 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -75.8 -38.98 57.68 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.14 161.35 18.36 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m 56.25 62.5 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.268 0.556 . . . . 0.0 110.32 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -76.71 -8.56 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.787 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.85 72.48 81.92 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.658 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.15 90.32 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.266 1.977 . . . . 0.0 110.703 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 64.79 96.9 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.19 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.968 -170.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 141.37 54.03 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.408 2.739 . . . . 0.0 113.436 -173.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -76.89 107.66 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.865 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -117.12 155.66 28.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.346 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.544 HG21 ' CE2' ' B' ' 45' ' ' TYR . 2.5 mp -80.42 122.51 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.07 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -84.7 -37.21 21.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.033 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -157.67 145.91 19.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 66.3 m-85 -106.0 132.99 51.42 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.43 117.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.498 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.6 OUTLIER -96.58 122.44 39.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.569 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 98.0 mtt180 -121.31 141.17 51.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.453 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.506 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 20.9 p90 -150.76 142.42 23.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 111.33 176.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 16.7 ptm180 -129.78 127.71 22.88 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.106 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 11.2 Cg_exo -70.52 127.47 14.03 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.652 2.235 . . . . 0.0 112.192 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -65.7 -16.48 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.329 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -90.85 5.32 48.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 90.2 p -121.34 -169.05 1.78 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.23 -36.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.41 32.69 1.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.789 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -80.85 140.99 35.08 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.884 0.373 . . . . 0.0 110.67 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -91.96 123.13 35.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.296 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 55.9 mttp -82.98 134.51 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 169.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.8 mt-10 -113.5 124.73 53.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 111.357 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.19 133.94 55.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.026 175.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -101.97 117.77 35.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.105 0.479 . . . . 0.0 110.785 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.451 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.9 mp -112.77 124.31 32.03 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.125 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.92 139.9 24.61 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.696 2.264 . . . . 0.0 112.101 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.15 50.14 1.93 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.751 -174.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -163.72 15.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.744 0.307 . . . . 0.0 110.955 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.9 mt -103.17 -45.39 4.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.243 0.544 . . . . 0.0 110.103 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 67.62 17.2 9.91 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.043 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.7 p -159.84 150.51 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.346 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' TYR . . . . . 0.451 ' HB2' HG12 ' B' ' 63' ' ' ILE . 69.8 t80 -144.16 140.42 29.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.561 177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 19.6 m -93.16 100.1 12.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.999 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.503 HD12 HD11 ' A' ' 23' ' ' ILE . 55.1 mt -80.24 109.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.305 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.7 24.49 2.82 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.507 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 21' ' ' THR . 40.2 mt -103.73 132.02 50.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 0.0 110.489 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -97.97 121.94 56.05 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.91 119.2 6.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.761 2.307 . . . . 0.0 111.697 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.13 -17.66 21.86 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.23 131.63 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -80.9 134.12 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -123.76 139.61 53.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.411 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 72.5 mm-40 -102.69 116.92 33.55 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.51 153.87 17.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 119.775 -1.203 . . . . 0.0 113.456 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 98' ' ' ARG . 72.2 mt-30 -141.17 141.13 34.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.589 0.356 . . . . 0.0 110.515 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.3 tm? -111.29 122.29 47.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.488 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 9.8 mt -117.71 112.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.477 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.501 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 3.3 p -91.75 124.58 35.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.866 0.365 . . . . 0.0 110.748 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.2 mm -103.26 111.62 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.733 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.505 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 79.1 mt-30 -83.44 178.44 8.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.96 0.409 . . . . 0.0 112.092 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.25 -43.44 96.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.811 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -94.0 16.14 15.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 0.0 111.364 -175.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.86 4.5 72.34 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.627 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.62 130.8 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' B' ' 87' ' ' SER . 73.9 mt-30 -120.33 124.79 46.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.501 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 2.4 mp0 -108.34 133.07 53.05 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.423 HG22 HG23 ' B' ' 86' ' ' ILE . 58.0 t -119.63 114.87 45.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.863 0.363 . . . . 0.0 110.648 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 14.4 t -120.62 130.03 53.98 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 84' ' ' GLN . 34.6 mtm180 -100.71 156.04 17.56 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.831 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -142.07 163.93 31.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -123.37 137.98 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.4 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -150.45 143.63 24.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.49 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.8 t -159.64 -38.43 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.16 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 28.8 m -155.07 -47.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 106' ' ' THR . 26.5 m -67.31 130.86 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.254 175.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 20.6 m -77.49 -24.9 50.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 110.56 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.401 ' H ' HG22 ' B' ' 104' ' ' THR . 6.5 m -71.39 115.21 10.3 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.691 174.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 3.0 p -81.09 -20.4 41.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.83 153.16 77.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.689 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.92 6.34 5.37 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.99 2.46 . . . . 0.0 111.389 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.29 104.96 0.22 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p -61.56 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.013 0.435 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -133.65 136.67 44.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.565 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 55.4 m -73.95 145.73 44.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.347 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 60.55 74.26 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.338 0.59 . . . . 0.0 109.859 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -67.69 134.75 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -73.14 2.08 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -71.19 -15.97 62.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.954 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -86.62 141.33 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.104 -178.35 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -159.93 52.61 0.34 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -107.2 12.16 28.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m 59.56 41.04 19.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.907 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -80.97 103.15 10.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.055 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 7' ' ' PRO . . . -69.2 -48.75 26.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.581 173.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 6' ' ' ALA . 71.7 Cg_endo -76.84 148.08 28.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.722 1.614 . . . . 0.0 111.491 171.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' HB2' HE21 ' B' ' 89' ' ' GLN . 14.4 m-20 -112.32 35.42 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.435 0.636 . . . . 0.0 109.811 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -95.06 134.95 23.91 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.977 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -56.29 121.82 10.68 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.856 2.371 . . . . 0.0 111.528 174.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 52.5 Cg_exo -53.92 -41.78 72.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.748 2.965 . . . . 0.0 113.678 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -154.77 129.46 4.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.749 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD2' ' B' ' 99' ' ' PHE . 4.5 Cg_exo -78.65 117.55 4.01 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.566 2.177 . . . . 0.0 110.874 168.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -98.98 120.91 40.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.956 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.8 t -95.33 115.47 34.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -117.06 168.52 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.133 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 53.77 60.55 3.59 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.704 0.628 . . . . 0.0 111.348 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -81.33 114.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.41 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -109.49 -154.02 0.53 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.12 -53.53 7.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.531 HG22 ' O ' ' B' ' 75' ' ' LEU . 8.5 p -123.53 17.56 9.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -174.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.9 p -149.22 143.32 25.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 111.648 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.671 HD11 HD12 ' B' ' 72' ' ' ILE . 10.1 pt -135.17 158.34 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.83 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.6 t -109.6 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 171.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.58 116.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.54 0.686 . . . . 0.0 110.089 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -109.34 157.24 19.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.308 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.497 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 44.4 p90 -147.17 137.77 23.55 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -76.5 109.76 10.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.555 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 6.9 ppt_? -88.19 156.67 51.48 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.224 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 C--O 1.252 1.207 0 C-N-CA 122.895 2.397 . . . . 0.0 111.806 176.285 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -101.32 135.49 42.72 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.17 25.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.56 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.1 m -84.83 148.2 26.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.899 0.381 . . . . 0.0 110.468 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -93.03 123.18 36.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.33 142.18 34.76 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.907 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.53 105.93 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.825 2.35 . . . . 0.0 111.688 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -67.99 137.55 92.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.907 -172.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.41 -5.87 17.84 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.938 2.425 . . . . 0.0 111.892 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.7 m -76.47 41.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.504 0.669 . . . . 0.0 110.564 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -142.99 85.18 1.86 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' B' ' 87' ' ' SER . 2.0 mp -77.07 137.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 -173.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -82.41 -35.66 27.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.294 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -166.55 150.01 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.544 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -109.49 136.5 48.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.17 122.04 67.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.021 0.438 . . . . 0.0 110.062 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.422 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.4 OUTLIER -96.99 116.76 29.78 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.314 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.62 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 95.5 mtt180 -112.72 137.71 50.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.342 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.473 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 31.3 p90 -148.79 146.62 28.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -141.67 145.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.671 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.46 116.15 3.6 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.569 2.179 . . . . 0.0 111.403 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.575 ' HB3' HG23 ' B' ' 80' ' ' VAL . 10.1 tmtt? -62.07 -38.92 90.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.899 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -83.57 6.67 19.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.731 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -134.41 164.9 26.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.424 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.4 ' O ' HG22 ' B' ' 55' ' ' VAL . 12.2 p -87.71 36.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 122.381 1.086 . . . . 0.0 109.555 176.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.23 160.35 53.45 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.663 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -102.71 158.03 16.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.824 0.345 . . . . 0.0 110.559 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -73.57 114.67 12.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 60.0 mttp -83.4 141.79 31.47 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.1 mt-10 -114.34 123.97 50.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.009 0.433 . . . . 0.0 111.223 -176.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.54 129.48 56.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.687 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 29.2 m -98.75 115.59 29.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.304 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.63 130.51 22.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.54 141.9 25.08 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.02 2.48 . . . . 0.0 112.396 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.62 47.65 2.14 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.188 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -156.73 22.09 0.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.285 0.564 . . . . 0.0 109.676 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -122.22 160.46 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.43 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.9 p-10 -133.44 17.68 4.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.02 0.438 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.4 t -152.42 136.98 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.949 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -135.31 144.22 46.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.949 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.1 m -104.71 116.46 32.07 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.671 HD12 HD11 ' A' ' 23' ' ' ILE . 24.9 mt -90.4 123.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -122.02 143.04 49.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.761 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.36 21.85 14.11 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.916 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.54 ' HB3' HG21 ' B' ' 103' ' ' THR . 95.9 mt -84.7 165.46 17.86 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -111.69 125.92 29.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.613 0.244 . . . . 0.0 110.828 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' B' ' 103' ' ' THR . 36.3 Cg_endo -65.83 124.19 12.38 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.795 2.33 . . . . 0.0 112.499 -176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.55 -16.99 51.43 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.625 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.11 126.03 42.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 52' ' ' LYS . 19.6 m -82.72 138.92 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -117.23 150.02 39.45 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.071 0.462 . . . . 0.0 111.776 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 32.2 mt-10 -103.36 126.56 50.58 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 48' ' ' ARG . . . -130.51 156.46 21.63 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.953 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -141.09 129.38 22.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -96.52 109.1 21.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.479 HG23 HG22 ' B' ' 96' ' ' VAL . 24.5 mt -105.61 115.11 46.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.715 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.485 ' HB3' HG12 ' B' ' 42' ' ' ILE . 3.6 m -101.81 122.9 44.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.412 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.8 mm -96.23 114.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.425 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.486 ' OE1' ' HB2' ' B' ' 93' ' ' HIS . 74.4 mt-30 -83.04 172.99 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.61 0.243 . . . . 0.0 111.24 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -57.71 -41.1 81.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.113 0.482 . . . . 0.0 110.42 175.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -78.48 7.39 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.803 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.52 5.26 87.96 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.577 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' HIS . . . . . 0.486 ' HB2' ' OE1' ' B' ' 89' ' ' GLN . 54.7 m170 -69.35 136.77 52.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -106.04 119.27 38.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.918 0.389 . . . . 0.0 110.378 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.601 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 13.6 mm-40 -102.84 113.39 26.78 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 175.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.479 HG22 HG23 ' B' ' 86' ' ' ILE . 40.2 t -117.97 113.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.09 0.472 . . . . 0.0 111.743 -172.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 44.8 m -106.04 115.69 30.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.812 173.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 98' ' ' ARG . 39.8 mtm180 -86.74 150.57 24.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.376 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.614 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 15.3 p90 -160.08 177.83 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.157 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -136.72 157.98 45.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.07 154.0 26.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.616 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -127.83 118.87 24.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.487 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.54 HG21 ' HB3' ' B' ' 75' ' ' LEU . 8.9 t -92.82 122.81 35.59 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -177.35 146.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.739 -176.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -122.4 -15.68 7.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.401 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -77.88 -13.71 59.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 32.6 t -110.85 123.91 51.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 45.1 m -128.17 116.02 20.22 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.294 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.64 52.93 4.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.828 2.352 . . . . 0.0 113.028 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.38 91.61 1.73 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.819 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.6 t -76.22 103.22 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.318 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -147.77 44.77 1.1 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.348 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 9.3 p -60.01 -35.01 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -129.53 -54.21 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.996 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -140.07 147.49 40.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.612 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -159.28 117.44 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.599 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -156.11 178.84 9.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.744 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 66.18 40.3 3.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.383 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.036 177.693 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -91.71 -42.69 10.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.153 0.501 . . . . 0.0 109.933 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -107.22 117.26 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.6 m -88.29 124.26 33.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.951 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -72.74 -34.8 67.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 0.0 110.955 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.36 124.41 75.9 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.997 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.68 47.89 2.59 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.651 2.234 . . . . 0.0 111.592 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -76.43 -29.45 57.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.104 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.58 144.42 31.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.723 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.28 141.18 97.45 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.781 2.321 . . . . 0.0 111.593 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -49.67 -69.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.039 2.492 . . . . 0.0 112.569 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.1 p30 -169.95 138.82 1.52 Allowed Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.778 175.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' B' ' 99' ' ' PHE . 11.6 Cg_exo -73.59 115.02 4.19 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.093 1.862 . . . . 0.0 110.866 170.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -99.88 116.29 31.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HB ' HD12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.79 142.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 121.252 0.549 . . . . 0.0 111.117 -176.312 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -102.32 137.2 40.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.933 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -84.33 74.13 10.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.2 t -71.68 -57.1 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.439 ' HB2' ' OG ' ' A' ' 22' ' ' SER . 5.8 m-20 -118.4 -178.53 3.54 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.646 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.72 -49.4 25.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.584 0.231 . . . . 0.0 111.015 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.684 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 2.6 p -106.5 19.62 20.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -175.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 19' ' ' ASP . 36.6 p -150.21 133.9 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 111.25 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.583 HD11 HD12 ' B' ' 72' ' ' ILE . 18.1 pt -117.11 158.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.651 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.43 106.13 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -98.69 115.5 39.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.143 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -123.21 142.11 51.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.54 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 36.1 p90 -131.42 143.94 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.071 0.462 . . . . 0.0 110.881 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 m -86.15 116.26 24.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.913 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 6.4 ppt_? -85.49 151.58 56.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.682 -177.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 122.934 2.422 . . . . 0.0 111.792 175.418 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 31' ' ' MET . . . . . 0.559 ' N ' ' HG ' ' B' ' 34' ' ' SER . 73.6 mtm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.649 0.262 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -88.76 79.7 7.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.35 73.13 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.56 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.559 ' HG ' ' N ' ' B' ' 31' ' ' MET . 8.3 p -156.78 71.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.969 -176.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -126.75 165.54 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.447 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.3 111.24 42.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -82.2 150.21 15.51 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.815 2.343 . . . . 0.0 112.67 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.438 ' HB3' ' ND1' ' B' ' 41' ' ' HIS . 15.6 mm100 -118.79 75.26 13.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.013 174.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.55 -66.14 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.258 3.305 . . . . 0.0 115.077 -167.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 49.1 m -111.34 97.61 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.113 0.482 . . . . 0.0 111.185 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.438 ' ND1' ' HB3' ' B' ' 38' ' ' GLN . 39.4 m80 -138.96 104.03 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.489 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.427 ' N ' HD12 ' B' ' 42' ' ' ILE . 3.1 mp -89.87 130.67 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.601 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -84.14 -33.4 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.874 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -163.39 146.47 10.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.678 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.35 127.55 53.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.437 HG22 ' HG3' ' B' ' 48' ' ' ARG . 3.5 mp -105.6 116.89 50.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.925 0.393 . . . . 0.0 110.047 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.62 112.68 24.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 88.2 mtt180 -114.84 134.38 55.18 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.573 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' TRP . . . . . 0.487 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 28.3 p90 -139.3 144.63 38.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.162 0.506 . . . . 0.0 110.906 177.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 5.3 tmm_? -136.53 122.23 13.38 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.444 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 17.7 Cg_exo -65.87 129.18 21.43 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.775 2.317 . . . . 0.0 112.049 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.537 ' HD3' ' CG ' ' B' ' 82' ' ' GLU . 7.3 mmmm -70.52 -25.73 63.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.526 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -76.57 5.18 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.466 . . . . 0.0 110.719 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 29.6 m -132.72 150.81 52.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.969 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 m -120.07 26.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.059 0.456 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.31 -118.42 1.45 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.176 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -115.6 158.91 21.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.017 0.437 . . . . 0.0 111.527 -173.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.435 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 36.2 m95 -80.95 139.59 35.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.032 175.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 66.7 mttm -95.58 137.27 34.87 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 34.2 mt-10 -117.46 141.17 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.444 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.24 133.77 43.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.558 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -107.75 117.08 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.072 0.463 . . . . 0.0 110.993 -176.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.603 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 5.2 mp -109.6 132.18 21.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.13 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.16 144.82 36.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.166 2.577 . . . . 0.0 112.39 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.36 64.31 0.78 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -169.56 -24.1 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.369 0.668 . . . . 0.0 109.411 -172.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.603 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 39.1 mt -103.99 140.03 38.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.598 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.9 p-10 -124.35 18.95 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.22 0.533 . . . . 0.0 110.563 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 33.7 t -141.61 133.06 26.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.262 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -140.17 136.6 33.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.015 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 42.8 m -100.18 105.29 16.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.147 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.583 HD12 HD11 ' A' ' 23' ' ' ILE . 51.3 mt -79.17 113.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -100.14 143.05 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.426 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.85 7.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 21' ' ' THR . 34.8 mt -103.78 136.2 43.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 0.0 110.398 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -81.43 126.01 77.36 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.73 124.21 11.65 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.636 2.224 . . . . 0.0 112.323 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . 0.488 ' H ' HG22 ' B' ' 102' ' ' THR . . . 105.75 -25.65 23.55 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.319 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.5 t -74.23 140.06 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 t -85.6 136.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.841 0.353 . . . . 0.0 110.209 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -125.33 144.99 50.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.475 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.537 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 78.6 mm-40 -101.67 115.99 31.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' B' ' 48' ' ' ARG . . . -116.97 145.91 18.77 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.761 -175.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.448 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 45.5 mt-30 -136.27 128.6 30.12 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -100.1 104.95 16.53 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.44 HG13 HG13 ' B' ' 96' ' ' VAL . 4.0 mp -97.3 105.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -93.82 118.12 31.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.75 112.49 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 25.5 mt-30 -83.79 156.2 22.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.878 0.37 . . . . 0.0 110.625 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -68.48 -9.84 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.614 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -92.67 -2.97 55.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.555 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.96 5.24 68.33 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.372 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 119.88 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.46 119.38 38.39 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -112.52 120.66 42.37 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 86' ' ' ILE . 41.9 t -115.52 108.68 25.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 -176.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' THR . . . . . 0.431 HG21 ' HA ' ' A' ' 12' ' ' ASP . 79.7 m -97.22 116.52 29.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.345 176.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.448 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 57.4 mtt180 -89.75 139.97 30.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.78 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 17.2 p90 -155.63 -179.52 8.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.363 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -142.51 158.76 43.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -158.26 159.96 36.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' THR . . . . . 0.488 HG22 ' H ' ' B' ' 78' ' ' GLY . 4.1 m 67.77 14.3 9.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.313 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 91.5 m -68.03 116.8 9.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.37 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.7 t -76.51 159.17 30.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 171.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 13.5 m 60.86 70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -175.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.7 p -62.51 91.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.997 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' B' ' 108' ' ' THR . 47.5 m -80.67 -39.91 26.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.211 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' B' ' 107' ' ' SER . 9.3 t 176.88 126.93 0.18 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.508 176.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' B' ' 113' ' ' SER . 68.7 Cg_endo -76.37 -8.53 18.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.742 2.294 . . . . 0.0 112.337 174.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.38 -155.17 26.28 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.7 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.8 m -66.48 -19.3 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.734 0.302 . . . . 0.0 111.248 -176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -66.4 -16.69 64.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.35 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.425 ' HB3' ' HD2' ' B' ' 109' ' ' PRO . 23.1 t -124.72 92.33 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.401 . . . . 0.0 110.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -132.51 26.78 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' B' ' 116' ' ' HIS . 90.6 m-70 -104.64 -63.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' B' ' 115' ' ' HIS . 62.9 m80 71.83 152.46 0.12 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.654 0.74 . . . . 0.0 112.432 177.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -87.21 86.47 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.317 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.52 -24.3 56.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.245 0.847 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.245 175.199 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 m -80.71 75.39 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.483 0.659 . . . . 0.0 110.837 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -74.98 -37.94 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.537 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.8 m -71.39 95.79 1.39 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.791 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p -93.51 -8.62 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.24 0.543 . . . . 0.0 110.625 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.39 149.79 50.13 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.932 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.17 44.44 1.65 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.613 2.208 . . . . 0.0 113.541 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -96.82 18.55 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.697 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . . . -94.27 129.43 37.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.187 175.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 24.3 Cg_exo -63.72 125.72 16.02 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.619 2.213 . . . . 0.0 112.218 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 28' ' ' SER . 58.0 Cg_exo -55.1 162.9 4.89 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.315 2.677 . . . . 0.0 112.412 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.34 115.79 6.69 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.401 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.56 141.79 92.64 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.021 2.481 . . . . 0.0 112.291 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -99.4 131.99 45.04 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.365 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.3 t -105.3 110.67 31.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.403 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.34 168.44 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 52.02 62.16 2.84 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 124.156 0.91 . . . . 0.0 111.431 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.02 121.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.447 0.641 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -97.31 -166.96 1.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.336 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.9 -40.73 87.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.661 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 6.8 p -138.79 23.64 2.64 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 3.8 p -152.4 153.86 34.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.751 0.31 . . . . 0.0 111.817 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.634 HD11 HD12 ' B' ' 72' ' ' ILE . 23.6 pt -139.48 167.48 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.246 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -111.32 104.96 17.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 168.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.71 119.43 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.214 0.53 . . . . 0.0 109.655 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -117.16 135.47 53.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.398 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -127.98 151.66 48.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.976 0.417 . . . . 0.0 110.831 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.596 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 16.1 m -102.39 114.22 28.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 6.3 ppt_? -90.74 146.4 33.99 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 122.753 2.302 . . . . 0.0 112.013 179.295 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' B' ' 32' ' ' ARG . 2.8 mmp_? 59.47 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.605 0.566 . . . . 0.0 111.912 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.1 -60.33 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.512 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m 63.96 32.47 13.08 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.017 0.527 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -81.52 128.29 33.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.144 0.497 . . . . 0.0 110.341 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -169.7 129.68 0.93 Allowed Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.568 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.41 72.92 3.46 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.673 2.248 . . . . 0.0 111.632 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -66.15 121.16 75.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.294 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.3 44.8 1.68 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.949 2.433 . . . . 0.0 112.46 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.472 ' HA ' ' OE1' ' B' ' 89' ' ' GLN . 46.0 m -154.65 70.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -132.64 107.52 8.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.584 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' B' ' 45' ' ' TYR . 3.9 mp -86.69 130.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.426 . . . . 0.0 110.652 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.0 m -89.83 -35.47 15.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -162.52 145.37 11.14 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.742 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.456 ' CE2' ' HA2' ' B' ' 65' ' ' GLY . 49.1 m-85 -105.39 126.27 51.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.415 HD12 ' N ' ' B' ' 46' ' ' ILE . 3.2 mp -102.84 118.53 49.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.405 ' CD2' HD23 ' B' ' 85' ' ' LEU . 0.3 OUTLIER -96.65 113.69 25.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.57 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 93.6 mtt180 -113.32 125.99 54.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.447 ' NE1' ' HD2' ' B' ' 59' ' ' LYS . 29.3 p90 -134.59 145.21 48.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.056 0.455 . . . . 0.0 110.877 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -151.67 132.27 7.4 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.518 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.493 ' HB2' ' OD1' ' B' ' 53' ' ' ASN . 42.5 Cg_endo -68.39 145.26 64.66 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.243 1.962 . . . . 0.0 111.781 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.506 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.493 ' OD1' ' HB2' ' B' ' 51' ' ' PRO . 3.7 p-10 -81.08 -4.33 54.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.495 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 26.3 m -126.17 126.86 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.532 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.06 9.64 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.718 0.771 . . . . 0.0 109.789 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.33 -119.83 0.83 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 113.646 -176.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -86.2 146.16 26.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 112.399 -170.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -92.23 144.39 25.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 63.1 mttm -85.29 130.73 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.57 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 44.1 mt-10 -115.46 128.29 55.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.025 0.44 . . . . 0.0 111.724 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.46 127.84 41.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.717 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 59.0 m -98.88 125.02 44.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.232 0.539 . . . . 0.0 111.069 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.95 131.93 21.7 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.88 139.93 24.34 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.05 2.5 . . . . 0.0 112.504 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.456 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -73.71 52.8 2.0 Favored Glycine 0 C--N 1.332 0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.748 -175.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -161.05 14.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.158 0.504 . . . . 0.0 110.038 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 mt -112.95 156.72 22.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -124.99 2.79 8.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -149.94 150.14 31.42 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.019 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -142.0 137.34 31.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.381 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 47.4 m -93.03 99.72 12.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.031 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.634 HD12 HD11 ' A' ' 23' ' ' ILE . 50.4 mt -76.27 116.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.484 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -103.66 132.59 49.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.01 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.8 29.34 3.12 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.236 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 21' ' ' THR . 94.2 mt -103.61 123.64 47.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.601 0.239 . . . . 0.0 110.366 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -73.68 130.92 82.8 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.888 0.375 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.31 119.42 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.846 2.364 . . . . 0.0 112.116 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.82 41.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.162 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.4 t -121.42 128.07 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.527 ' HA ' ' HB ' ' B' ' 102' ' ' THR . 41.8 t -74.26 130.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.027 0.442 . . . . 0.0 110.688 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.73 151.11 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 34.5 mt-10 -102.09 137.16 40.73 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 169.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -129.72 143.53 14.7 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.622 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -134.68 122.88 22.85 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' B' ' 47' ' ' LEU . 3.3 tm? -102.09 106.52 17.41 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 174.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.419 HG23 HG22 ' B' ' 96' ' ' VAL . 3.9 mp -102.17 108.2 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 110.117 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -90.04 111.9 23.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.326 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 48.4 mm -89.32 105.24 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' B' ' 40' ' ' SER . 47.0 mt-30 -85.06 150.93 24.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.561 . . . . 0.0 110.823 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.31 -25.5 15.15 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.543 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -85.27 7.8 20.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.017 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.6 15.05 80.39 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.89 121.53 32.09 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -106.75 122.25 45.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.018 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -115.1 117.88 31.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.158 173.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.419 HG22 HG23 ' B' ' 86' ' ' ILE . 51.7 t -105.1 113.45 42.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.391 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 30.4 m -101.63 110.62 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.952 0.406 . . . . 0.0 110.079 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 98' ' ' ARG . 19.7 mtp180 -89.44 128.35 35.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.847 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -136.33 178.47 7.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.014 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.04 158.37 44.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.912 0.387 . . . . 0.0 111.198 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -135.46 149.62 49.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.348 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.527 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 2.9 m 70.27 31.94 2.98 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.796 0.808 . . . . 0.0 109.914 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 11.1 p -108.91 -36.38 6.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.084 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.5 m -80.16 75.32 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.368 0.604 . . . . 0.0 110.149 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 7.9 m -98.48 95.69 7.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -78.72 57.46 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.621 0.724 . . . . 0.0 110.708 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 11.4 m -88.07 55.97 3.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.584 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 18.8 m -71.31 116.83 51.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.317 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.94 54.89 5.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.928 2.418 . . . . 0.0 112.961 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.65 62.26 6.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.192 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.1 t -83.95 80.39 9.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -83.82 109.08 17.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.809 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 23.6 m -105.67 -12.1 16.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.934 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -77.98 109.54 12.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.042 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -147.22 27.88 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.488 0.661 . . . . 0.0 109.829 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -135.1 120.2 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.278 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -81.68 121.07 25.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -78.48 163.02 25.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.16 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 82.2 t60 . . . . . 0 C--O 1.248 0.979 0 O-C-N 123.567 0.542 . . . . 0.0 110.125 -178.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -74.47 -15.96 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.01 0.434 . . . . 0.0 110.903 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.05 79.71 8.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -119.43 63.63 0.8 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.956 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.6 t -57.53 135.53 56.64 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.63 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.06 71.56 1.19 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.23 -12.91 25.66 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.796 2.331 . . . . 0.0 111.607 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -94.62 38.1 1.11 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.797 0.808 . . . . 0.0 109.82 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.04 146.4 34.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.642 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.42 124.96 15.21 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.863 2.375 . . . . 0.0 112.361 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 28' ' ' SER . 85.5 Cg_exo -49.41 147.43 12.41 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.31 2.673 . . . . 0.0 112.338 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.92 117.69 3.99 Favored Pre-proline 0 N--CA 1.465 0.321 0 CA-C-N 115.241 -0.891 . . . . 0.0 112.392 -174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.91 147.55 73.01 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.365 2.71 . . . . 0.0 112.785 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.0 m -109.67 137.29 47.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' A' ' 23' ' ' ILE . 74.8 t -106.21 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -120.41 162.82 18.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 51.7 79.63 0.1 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.193 0.933 . . . . 0.0 112.176 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.15 121.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.235 0.541 . . . . 0.0 110.525 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -86.81 -158.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.664 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -71.01 -34.46 71.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 2.6 p -148.27 29.1 0.88 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 7.3 p -152.01 157.35 41.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.157 -0.339 . . . . 0.0 111.609 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.576 HD11 HD12 ' B' ' 72' ' ' ILE . 29.6 pt -136.93 164.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.55 105.75 19.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 169.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -101.7 121.28 52.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.061 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -120.73 156.04 32.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.968 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -148.63 141.9 25.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.564 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 15.5 m -96.02 133.04 40.74 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HD3' ' H ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -89.44 145.67 34.34 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.154 177.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.247 0.97 0 C-N-CA 122.582 2.188 . . . . 0.0 112.355 179.788 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 32' ' ' ARG . 45.6 ttm180 -128.07 81.19 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.121 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.51 91.36 0.11 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.185 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p -82.39 -25.76 33.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.138 0.494 . . . . 0.0 110.127 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -86.05 -38.08 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.074 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.466 ' HB1' ' HG3' ' B' ' 39' ' ' PRO . . . -126.53 107.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.954 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.74 71.58 4.01 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.141 2.561 . . . . 0.0 112.576 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.441 ' HB3' ' HB2' ' B' ' 41' ' ' HIS . 69.1 mt-30 61.43 82.88 0.21 Allowed Pre-proline 0 N--CA 1.465 0.323 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.466 ' HG3' ' HB1' ' B' ' 36' ' ' ALA . 31.9 Cg_exo -57.08 -64.41 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.088 2.525 . . . . 0.0 112.752 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.641 ' HA ' ' OE1' ' B' ' 89' ' ' GLN . 31.5 p -89.6 52.57 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 0.0 111.042 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.441 ' HB2' ' HB3' ' B' ' 38' ' ' GLN . 14.1 t-80 -95.67 108.78 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.838 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.468 HG12 ' HB2' ' B' ' 87' ' ' SER . 3.6 mp -81.85 127.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.695 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.8 m -80.19 -39.58 28.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.577 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -156.29 140.65 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 82.3 m-85 -101.32 129.76 47.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' B' ' 61' ' ' ALA . 2.7 mp -107.8 117.07 52.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.067 0.46 . . . . 0.0 109.787 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 113.15 24.74 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 93.0 mtt180 -113.22 118.91 35.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.483 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.3 p90 -125.17 145.6 49.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 110.651 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -149.72 127.28 5.62 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.696 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.49 ' HG3' ' CE1' ' B' ' 81' ' ' TYR . 32.8 Cg_exo -60.25 142.84 99.16 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.333 2.022 . . . . 0.0 111.291 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -58.75 -28.86 66.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.658 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -80.99 -11.35 59.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 35.6 m -106.94 133.26 51.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.91 9.92 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.486 0.66 . . . . 0.0 110.028 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.8 -77.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.7 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -150.06 161.1 43.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.038 0.447 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -89.33 130.54 35.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.74 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 95.7 mttt -74.54 136.35 42.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.52 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 41.3 mt-10 -113.79 142.29 46.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 111.512 -173.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' B' ' 46' ' ' ILE . . . -136.15 134.72 38.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.544 172.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -107.2 111.76 24.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.98 123.68 35.54 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.991 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -48.08 142.24 16.16 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.871 2.381 . . . . 0.0 112.356 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -75.82 48.84 2.38 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.873 -172.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -164.02 22.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -113.19 -52.36 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.897 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.31 39.25 22.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.151 0.501 . . . . 0.0 111.147 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -168.64 133.42 1.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.115 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -146.04 144.44 30.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.86 0.362 . . . . 0.0 110.187 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 54.8 m -107.41 99.04 8.59 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.113 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.576 HD12 HD11 ' A' ' 23' ' ' ILE . 36.4 mt -74.79 122.87 29.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.972 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -108.94 148.21 31.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.813 0.34 . . . . 0.0 110.208 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.45 20.84 23.8 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.805 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 21' ' ' THR . 87.7 mt -92.73 125.34 37.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.347 . . . . 0.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -85.6 122.5 73.28 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.302 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.01 136.96 36.41 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.712 2.275 . . . . 0.0 112.267 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.69 2.33 79.06 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.071 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -105.92 139.29 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.8 t -83.97 112.49 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' B' ' 51' ' ' PRO . 57.9 m-85 -103.07 145.08 30.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.008 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 31.9 mt-10 -102.56 132.93 48.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 173.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.63 144.87 16.28 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.715 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.48 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 39.5 mt-30 -132.98 125.89 30.75 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -97.69 111.04 23.48 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.48 HG23 HG22 ' B' ' 96' ' ' VAL . 15.2 mt -108.07 105.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.366 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.468 ' HB2' HG12 ' B' ' 42' ' ' ILE . 24.9 p -92.33 117.61 30.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 15.4 mm -95.51 107.39 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.641 ' OE1' ' HA ' ' B' ' 40' ' ' SER . 43.9 mt-30 -85.21 158.49 20.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.871 0.367 . . . . 0.0 110.279 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -67.74 -3.76 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.121 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -105.28 17.53 23.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.0 110.729 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.91 11.89 84.35 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.968 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.93 125.46 31.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -111.93 118.47 35.58 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.4 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 1.4 mp0 -108.68 119.98 41.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.707 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.48 HG22 HG23 ' B' ' 86' ' ' ILE . 40.8 t -110.12 107.15 22.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.669 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 19.0 m -98.86 112.99 24.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.48 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 71.7 mtt180 -93.88 136.33 34.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.21 0.529 . . . . 0.0 111.45 -174.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -150.18 -179.26 7.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.992 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.47 158.89 43.33 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.15 174.52 15.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.869 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 31.3 m 74.56 -37.84 0.37 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.252 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 10.2 t -72.79 -24.75 60.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 19.9 m -79.16 82.5 5.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.206 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 9.5 t -154.5 53.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.037 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 21.2 p -89.83 32.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.949 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.4 m -81.77 61.27 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.59 . . . . 0.0 110.675 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 31.1 m -74.18 -51.05 4.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.171 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 108' ' ' THR . 34.0 Cg_endo -63.56 117.24 4.21 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.073 1.849 . . . . 0.0 112.463 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.76 69.93 0.48 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.232 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -77.53 -7.73 56.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 110.97 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -132.4 146.76 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.252 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 9.8 p -99.19 112.25 24.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.66 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -97.01 139.3 33.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.48 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -96.28 147.23 24.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.567 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -96.29 83.64 3.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.642 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -94.14 -32.03 13.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.246 -179.4 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -146.23 -58.87 0.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.731 0.301 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -168.62 -69.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.024 0.44 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -119.06 2.04 11.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.456 0.646 . . . . 0.0 110.51 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 98.8 m -141.9 132.0 24.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.995 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.91 95.35 10.61 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.2 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 5' ' ' THR . 6.6 Cg_exo -73.14 154.19 52.03 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.796 2.331 . . . . 0.0 111.842 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -101.67 -1.87 31.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.513 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -100.56 128.05 31.12 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.079 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.78 126.3 21.34 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.584 2.189 . . . . 0.0 111.435 174.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.33 175.25 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.138 2.558 . . . . 0.0 112.631 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -44.17 114.91 2.02 Favored Pre-proline 0 N--CA 1.47 0.538 0 O-C-N 123.755 0.659 . . . . 0.0 112.348 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.28 115.7 4.0 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.882 2.388 . . . . 0.0 111.52 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -105.02 137.82 42.17 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' HB ' HD12 ' A' ' 23' ' ' ILE . 1.2 m -97.74 143.2 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 121.303 0.573 . . . . 0.0 111.461 -174.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -124.9 168.08 13.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.656 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 54.45 75.32 0.29 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.155 0.909 . . . . 0.0 111.886 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG21 ' O ' ' B' ' 103' ' ' THR . 54.2 t -85.66 123.32 39.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -96.92 -160.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.52 -49.5 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.61 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 0.8 OUTLIER -146.04 37.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.75 -179.16 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 13.7 p -153.8 153.36 32.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.747 0.308 . . . . 0.0 111.253 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.563 HD11 HD12 ' B' ' 72' ' ' ILE . 28.7 pt -135.74 166.73 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.879 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.0 105.21 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' B' ' 69' ' ' SER . 1.5 p -90.04 124.16 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.072 0.463 . . . . 0.0 110.115 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -122.77 130.04 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.576 -173.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 9.4 p90 -109.68 145.94 35.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.177 0.513 . . . . 0.0 110.609 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -80.96 158.98 25.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.171 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -85.39 129.14 56.53 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.605 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--O 1.245 0.874 0 C-N-CA 122.598 2.199 . . . . 0.0 111.816 176.367 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.533 0.206 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -110.69 111.34 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.37 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.45 -91.56 1.45 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.0 t -93.01 84.19 4.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -82.33 -48.96 10.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.2 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.24 112.62 14.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.989 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.98 150.69 10.98 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.658 2.239 . . . . 0.0 111.956 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.28 113.58 63.19 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.29 -58.16 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.81 2.34 . . . . 0.0 112.516 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -65.09 -63.99 0.97 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 90' ' ' GLN . 50.2 t-80 45.23 76.13 0.1 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.667 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' B' ' 45' ' ' TYR . 3.5 mp -68.2 116.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 176.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -80.55 -32.41 36.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.633 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -161.49 150.87 16.4 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.588 ' HB3' HD21 ' B' ' 85' ' ' LEU . 35.7 m-85 -110.96 125.33 53.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.44 HD12 ' N ' ' B' ' 46' ' ' ILE . 3.4 mp -99.18 118.17 45.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.465 HD23 HD23 ' B' ' 85' ' ' LEU . 0.4 OUTLIER -101.86 114.56 28.75 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.8 mtt180 -115.8 132.06 56.75 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 29.0 p90 -134.72 147.48 50.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.13 0.49 . . . . 0.0 110.922 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -147.71 138.9 13.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.874 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.29 117.28 3.75 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.474 2.116 . . . . 0.0 111.065 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.596 ' HB3' HG13 ' B' ' 80' ' ' VAL . 55.4 tptt -60.92 -28.07 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.498 -171.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -83.46 -6.6 59.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 110.782 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -122.25 140.53 52.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.085 0.469 . . . . 0.0 111.629 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.6 31.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.118 0.961 . . . . 0.0 109.744 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.76 -170.09 24.7 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.917 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -76.34 143.27 40.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 0.0 110.852 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -78.43 133.86 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.023 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 26.7 mtpp -90.26 129.12 36.54 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.476 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 24.6 mt-10 -114.38 133.53 55.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.015 0.436 . . . . 0.0 111.732 -171.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.84 147.25 50.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.651 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 27.9 m -118.67 120.9 38.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.092 0.472 . . . . 0.0 110.762 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.408 ' N ' HD12 ' B' ' 63' ' ' ILE . 4.5 mp -110.11 131.36 22.03 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.95 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.59 140.6 36.02 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.824 2.349 . . . . 0.0 111.929 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.519 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.42 47.5 1.73 Allowed Glycine 0 CA--C 1.519 0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.895 -173.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -157.39 19.0 0.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 110.192 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 75.1 mt -117.39 151.47 36.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.588 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 80.7 m-20 -121.39 15.01 11.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 -176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 12.6 p -156.61 143.13 18.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.687 0.28 . . . . 0.0 111.19 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -138.61 142.66 39.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.818 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 23.5 m -95.76 99.66 11.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.248 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.563 HD12 HD11 ' A' ' 23' ' ' ILE . 66.0 mt -79.89 120.83 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.101 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -109.99 132.52 54.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.157 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.98 20.79 5.54 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.515 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 21' ' ' THR . 52.3 mt -105.01 141.48 36.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.892 0.346 . . . . 0.0 110.861 177.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -101.18 121.26 52.58 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.71 118.3 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.78 2.32 . . . . 0.0 111.682 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.63 -24.83 10.05 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.81 133.61 32.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' B' ' 52' ' ' LYS . 3.2 p -82.33 130.19 36.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.346 0.594 . . . . 0.0 111.089 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -125.65 152.52 45.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.963 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.584 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 39.1 mt-10 -102.26 137.17 40.86 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -131.63 144.21 15.82 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.769 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.475 ' CG ' ' HB2' ' B' ' 48' ' ' ARG . 10.4 pt20 -137.1 132.42 34.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.871 0.367 . . . . 0.0 110.473 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.1 tm? -107.38 107.59 18.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.265 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.414 HG13 HG13 ' B' ' 96' ' ' VAL . 3.8 mp -100.48 115.88 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.84 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.1 m -97.23 127.43 43.19 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.663 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 50.9 mm -100.8 112.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.042 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -86.05 -179.7 6.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.55 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' B' ' 41' ' ' HIS . 9.9 tt0 -65.73 -41.71 91.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.547 176.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.71 8.63 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.512 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.3 7.17 86.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.982 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -66.57 120.47 13.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -99.01 119.4 37.72 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 12.3 mm-40 -111.51 114.57 27.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.595 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.414 HG13 HG13 ' B' ' 86' ' ' ILE . 36.7 t -107.6 107.65 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.023 0.44 . . . . 0.0 110.66 -177.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.9 m -102.51 117.97 35.86 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -94.34 152.14 18.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.146 0.498 . . . . 0.0 111.64 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -151.94 168.7 24.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.369 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.98 153.22 49.45 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 80' ' ' VAL . 61.4 t80 -128.8 140.28 51.79 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 19.2 m -131.03 -59.9 0.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 18' ' ' VAL . 28.7 m -153.04 -67.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.244 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 41.0 m -160.28 86.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -91.77 52.19 1.98 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.03 0.443 . . . . 0.0 111.127 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 23.5 m -141.63 85.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.031 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -72.67 84.42 1.17 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.278 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 22.6 p -68.8 123.74 88.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.797 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.5 132.74 36.85 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.39 2.06 . . . . 0.0 111.609 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.75 69.2 2.42 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.281 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -146.91 106.46 3.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.035 0.445 . . . . 0.0 110.029 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -80.25 61.91 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.564 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.4 t -155.37 54.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.888 -178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -88.83 73.91 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.239 0.543 . . . . 0.0 111.326 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -117.37 89.46 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.579 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 m80 59.15 40.19 22.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.339 -174.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -120.48 76.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.322 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -107.9 96.23 6.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.04 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.225 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -77.21 120.52 22.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.697 0.284 . . . . 0.0 110.866 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.35 72.76 8.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.941 0.401 . . . . 0.0 109.927 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.2 m -93.27 -40.27 10.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -79.01 75.13 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.61 114.65 51.46 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.93 106.91 2.01 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.527 2.151 . . . . 0.0 112.735 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' OE2' ' B' ' 95' ' ' GLU . 11.9 m-20 -87.21 -23.42 24.77 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -96.32 129.16 34.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.462 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -48.49 130.17 21.21 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.237 2.624 . . . . 0.0 112.474 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.2 -66.9 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.767 2.978 . . . . 0.0 114.231 -173.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -152.79 116.78 2.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.97 115.69 3.75 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.286 1.991 . . . . 0.0 111.122 175.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.8 p -98.97 135.12 40.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 23' ' ' ILE . 60.0 t -108.26 115.76 49.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -94.26 120.66 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 172.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.668 ' NE2' ' H ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -97.42 79.35 2.76 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.682 0.753 . . . . 0.0 110.295 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -99.9 9.42 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.473 -177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.54 -174.63 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.45 -54.17 5.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.887 0.375 . . . . 0.0 110.504 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.119 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -130.13 141.33 50.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.152 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 HD12 ' B' ' 72' ' ' ILE . 14.7 pt -126.81 166.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.582 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.06 105.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.75 120.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.931 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 26' ' ' ARG . 48.5 mtt-85 -115.17 149.25 37.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.42 -176.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 12.5 p90 -135.58 124.38 23.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.152 0.501 . . . . 0.0 110.721 178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.1 t -64.1 143.04 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.257 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' A' ' 29' ' ' ARG . 9.1 mpt_? -64.75 129.9 94.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.547 2.831 . . . . 0.0 112.352 175.724 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 63.86 50.32 2.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.664 0.745 . . . . 0.0 109.79 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.61 176.25 21.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.579 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.8 t -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.194 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -145.15 140.24 27.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.4 100.15 9.45 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.24 105.88 0.93 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.616 2.211 . . . . 0.0 112.058 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.502 ' OE1' ' HD2' ' B' ' 39' ' ' PRO . 5.8 tp-100 -84.51 122.03 75.03 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.801 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.502 ' HD2' ' OE1' ' B' ' 38' ' ' GLN . 52.4 Cg_exo -55.6 103.24 0.1 Allowed 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 111.183 174.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.5 p -166.29 -163.06 0.57 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.861 -174.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 59.29 67.7 0.88 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.268 0.556 . . . . 0.0 110.077 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.433 ' O ' ' HA3' ' B' ' 65' ' ' GLY . 2.6 mp -68.57 124.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.727 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.6 t -75.87 -34.59 60.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.466 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -162.92 147.84 11.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.437 ' HB3' HD21 ' B' ' 85' ' ' LEU . 98.0 m-85 -110.11 125.17 52.71 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.495 HG22 ' HG3' ' B' ' 48' ' ' ARG . 3.4 mp -102.48 119.1 50.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 120.741 0.305 . . . . 0.0 110.383 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.522 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -100.56 111.55 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.043 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.495 ' HG3' HG22 ' B' ' 46' ' ' ILE . 22.1 mtm180 -124.08 119.01 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.522 ' CE3' HD12 ' B' ' 47' ' ' LEU . 18.9 p90 -128.38 145.87 50.95 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.256 0.55 . . . . 0.0 111.125 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -139.59 116.83 8.47 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.18 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.47 136.27 73.05 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.21 1.94 . . . . 0.0 111.25 174.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -62.68 -26.47 68.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.158 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.6 -16.62 60.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.277 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 48.7 m -81.95 147.23 29.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 110.466 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p -74.26 -38.88 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.136 -170.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.93 -37.0 0.02 OUTLIER Glycine 0 C--N 1.332 0.358 0 C-N-CA 118.765 -1.683 . . . . 0.0 115.272 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -61.64 127.35 31.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -92.97 142.75 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.355 174.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 60.3 mttp -97.45 130.91 44.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -128.63 129.53 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.617 -170.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.34 134.9 44.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.553 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 124.94 45.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 4.8 mp -112.36 129.1 24.67 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.719 178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.31 137.92 38.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.612 2.208 . . . . 0.0 111.669 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' B' ' 42' ' ' ILE . . . -61.44 -15.95 47.95 Favored Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.934 -0.575 . . . . 0.0 114.258 -172.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -84.14 -3.63 58.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.49 0.645 . . . . 0.0 111.459 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.487 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 64.7 mt -103.07 142.26 34.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.578 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 14.1 m120 -127.4 28.42 5.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.155 0.503 . . . . 0.0 110.908 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 53.1 p -161.32 140.33 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.169 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . 0.418 ' HB2' HG12 ' B' ' 63' ' ' ILE . 61.9 t80 -137.51 136.56 37.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.888 0.375 . . . . 0.0 110.387 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 24.6 m -89.71 100.64 13.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.291 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 23' ' ' ILE . 54.4 mt -81.02 117.23 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -109.5 131.16 55.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.27 28.5 4.62 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.863 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.79 174.27 8.48 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -127.74 122.63 22.59 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.82 125.13 13.73 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.444 2.096 . . . . 0.0 111.914 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.3 0.96 69.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.374 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.1 t -109.01 117.53 54.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' B' ' 102' ' ' THR . 39.7 t -73.84 138.58 20.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.041 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' HB3' ' B' ' 101' ' ' PHE . 18.7 p90 -130.49 162.77 28.47 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.707 174.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 38.3 mt-10 -101.57 111.09 23.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.84 132.38 11.07 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.235 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.425 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 46.0 mt-30 -121.66 121.87 38.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.54 0.21 . . . . 0.0 110.509 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.2 tm? -105.95 102.15 11.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 86' ' ' ILE . 3.3 mp -94.95 117.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -97.96 119.87 37.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.762 0.315 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.2 105.71 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.625 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 76.8 mt-30 -76.39 158.65 31.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.508 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -68.87 -10.87 59.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.726 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -86.16 -4.6 59.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.503 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.23 -2.21 85.05 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.65 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -69.35 120.24 14.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -117.64 126.02 51.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.521 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.601 ' OE2' ' HB2' ' A' ' 8' ' ' ASP . 9.5 mt-10 -135.0 139.8 45.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.429 HG13 HG13 ' B' ' 86' ' ' ILE . 41.1 t -109.61 111.8 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.996 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -92.56 109.26 20.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.696 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.425 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 62.9 mtm180 -96.12 139.96 31.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.974 0.416 . . . . 0.0 110.886 -175.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -144.3 170.49 15.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.815 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -136.45 157.74 46.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' B' ' 81' ' ' TYR . 66.1 t80 -144.57 146.17 32.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.805 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.415 ' HB ' HG22 ' B' ' 80' ' ' VAL . 9.3 t -167.89 175.64 6.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 2.5 m -120.96 7.84 10.41 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.612 0.72 . . . . 0.0 109.575 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 4.5 p -82.83 65.81 8.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.845 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 21.0 t -125.44 54.77 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.691 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 27.0 m -85.1 -47.1 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.617 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 33.0 t -82.02 -37.8 25.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.035 0.445 . . . . 0.0 109.991 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 109' ' ' PRO . 27.0 p -76.29 128.98 81.4 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 108' ' ' THR . 39.3 Cg_exo -61.35 112.7 1.5 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.644 2.229 . . . . 0.0 112.191 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.1 15.71 8.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.33 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 13.5 p -81.26 1.0 34.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 111.346 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -84.53 13.87 5.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.336 0.589 . . . . 0.0 110.231 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.9 p -84.12 52.43 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -125.66 44.59 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.782 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.62 33.52 3.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.209 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -103.36 -21.98 13.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -110.24 118.69 37.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.944 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -85.76 -21.34 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.327 0.584 . . . . 0.0 109.533 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 38.1 m80 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.566 174.02 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -135.46 -19.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 111.324 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -80.62 -24.59 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.388 -176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 p -85.92 39.62 0.82 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 p -74.83 -71.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.957 0.408 . . . . 0.0 110.474 177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.37 79.01 73.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.953 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 142.49 64.94 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.951 2.434 . . . . 0.0 112.605 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.482 ' HB2' ' NE2' ' B' ' 89' ' ' GLN . 1.0 OUTLIER -89.14 54.27 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.349 0.595 . . . . 0.0 110.416 179.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.37 119.65 65.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.408 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -53.27 134.91 58.7 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.003 2.469 . . . . 0.0 111.787 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.32 -36.27 88.14 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.291 2.661 . . . . 0.0 113.098 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -170.41 114.86 0.47 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.789 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' B' ' 99' ' ' PHE . 17.2 Cg_exo -69.14 116.05 4.3 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.537 2.158 . . . . 0.0 110.966 171.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -100.29 134.24 43.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.583 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' B' ' 101' ' ' PHE . 74.7 t -98.15 114.6 36.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.056 0.455 . . . . 0.0 109.886 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -122.95 155.68 36.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.214 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 50.33 74.17 0.23 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.554 0.534 . . . . 0.0 112.148 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -83.86 136.48 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.596 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -107.68 -169.11 1.47 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.65 -37.13 84.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.648 0.261 . . . . 0.0 110.489 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.441 HG22 ' O ' ' B' ' 75' ' ' LEU . 2.1 p -141.12 28.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -159.26 158.07 31.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.346 -0.221 . . . . 0.0 111.208 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.654 HD11 HD12 ' B' ' 72' ' ' ILE . 17.8 pt -140.82 166.31 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.413 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.94 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -94.45 122.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.274 0.559 . . . . 0.0 109.732 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -124.3 138.87 54.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.208 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.503 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 20.3 p90 -124.99 124.65 42.46 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.297 0.57 . . . . 0.0 110.505 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -69.42 137.05 52.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.591 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -67.07 131.59 93.72 Favored Pre-proline 0 C--N 1.323 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.599 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 C--O 1.246 0.88 0 C-N-CA 122.745 2.296 . . . . 0.0 111.948 178.236 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.734 0.302 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -168.77 62.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.512 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.34 -78.65 1.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.672 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -90.32 134.7 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -87.43 59.69 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.833 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 105.26 23.18 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.916 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -75.84 65.36 6.79 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.533 2.155 . . . . 0.0 111.587 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.559 ' HB2' HE22 ' B' ' 90' ' ' GLN . 12.9 mm100 -65.54 133.9 95.36 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.513 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -68.74 156.65 64.76 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.037 2.491 . . . . 0.0 112.86 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.522 ' HB3' ' OE1' ' B' ' 89' ' ' GLN . 40.6 m -76.6 62.65 1.97 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.691 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.65 147.1 27.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.609 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 2.9 mp -80.22 123.66 37.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.68 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.8 m -78.5 -36.77 44.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.816 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -162.66 147.11 11.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.968 0.414 . . . . 0.0 111.123 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.76 138.28 40.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.587 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.494 HG22 ' HG3' ' B' ' 48' ' ' ARG . 2.4 mp -113.18 117.3 55.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 110.215 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.492 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -97.7 119.16 35.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.693 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mtm180 -123.93 128.11 48.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' B' ' 47' ' ' LEU . 22.8 p90 -142.59 158.55 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.822 0.344 . . . . 0.0 111.17 -177.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -157.88 150.87 18.4 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.61 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.6 137.53 80.69 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.582 2.188 . . . . 0.0 111.396 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.566 ' HB2' HG23 ' B' ' 80' ' ' VAL . 5.6 tmtp? -65.86 -25.81 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -77.09 -10.37 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.086 0.469 . . . . 0.0 110.515 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -109.32 153.17 24.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.611 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.433 ' O ' HG22 ' B' ' 55' ' ' VAL . 11.7 p -129.84 28.81 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 122.131 0.967 . . . . 0.0 109.547 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.74 -134.76 8.24 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.165 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -78.88 147.04 33.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 111.991 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.461 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 35.5 m95 -92.13 131.79 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.271 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.693 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 89.2 mttt -68.69 144.47 54.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.58 124.22 51.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 111.59 -173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.09 128.05 44.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.909 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -101.66 124.24 46.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.979 0.419 . . . . 0.0 111.058 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.5 mp -110.35 131.86 21.81 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.14 137.63 37.26 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.443 2.096 . . . . 0.0 111.732 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' B' ' 42' ' ' ILE . . . -69.88 7.67 4.03 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 114.09 -172.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -109.71 14.5 23.29 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.52 -0.4 . . . . 0.0 110.578 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 53.1 mt -119.87 167.95 11.61 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.1 p-10 -141.04 26.95 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.958 176.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -153.86 145.76 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . 0.473 ' HB2' HG12 ' B' ' 63' ' ' ILE . 75.6 t80 -139.5 141.63 37.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 26.9 m -100.49 101.79 12.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.682 0.277 . . . . 0.0 110.374 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.654 HD12 HD11 ' A' ' 23' ' ' ILE . 44.2 mt -80.61 116.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -113.07 134.06 54.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.99 24.36 4.9 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.125 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' THR . 93.6 mt -93.17 148.38 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -95.6 129.97 33.19 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 120.802 0.334 . . . . 0.0 111.245 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.57 119.32 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.798 2.332 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.54 41.53 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.036 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.04 135.5 35.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.886 0.374 . . . . 0.0 110.644 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' B' ' 52' ' ' LYS . 22.6 m -94.53 144.48 9.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.01 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -128.39 156.87 42.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.053 0.454 . . . . 0.0 111.799 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.434 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 46.7 mm-40 -104.23 144.71 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -136.28 149.44 20.11 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.153 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -135.13 127.12 29.63 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 122.63 0.372 . . . . 0.0 110.293 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.24 110.95 22.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.77 120.44 60.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.505 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' B' ' 94' ' ' GLN . 11.0 p -95.32 125.64 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.854 0.359 . . . . 0.0 110.632 177.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 39.9 mm -105.95 111.55 35.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.911 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.522 ' OE1' ' HB3' ' B' ' 40' ' ' SER . 76.4 mt-30 -90.78 -179.74 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.167 0.508 . . . . 0.0 112.257 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.559 HE22 ' HB2' ' B' ' 38' ' ' GLN . 30.4 tt0 -55.47 -45.39 76.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.861 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.6 13.49 5.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.25 19.03 79.53 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.319 -0.943 . . . . 0.0 110.972 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 89' ' ' GLN . 6.9 t-80 -70.69 120.13 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' B' ' 87' ' ' SER . 43.3 mt-30 -116.73 120.34 38.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.788 0.328 . . . . 0.0 111.209 -174.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.488 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 2.1 mp0 -111.24 114.61 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.642 172.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -99.72 106.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.901 0.381 . . . . 0.0 110.321 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 17.8 m -96.04 109.91 22.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.72 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -92.63 137.27 32.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.388 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.428 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 34.4 p90 -152.1 -177.35 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 -177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.21 159.54 42.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CB ' HG21 ' A' ' 15' ' ' VAL . 40.7 p90 -154.59 149.3 26.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.021 0.438 . . . . 0.0 110.902 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.415 ' HB ' HG12 ' B' ' 80' ' ' VAL . 5.7 t -128.19 135.4 49.67 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 15.2 m -99.47 72.18 1.79 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 2.1 m -80.85 44.97 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.609 0.719 . . . . 0.0 110.995 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 23.8 m -85.53 71.0 10.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.142 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 30.6 p -80.54 68.78 6.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.983 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.0 t -103.55 7.9 37.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 109.686 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 17.9 m -54.11 -51.74 74.7 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.791 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 108' ' ' THR . 34.4 Cg_endo -65.56 2.29 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.381 2.054 . . . . 0.0 113.328 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.53 -21.65 74.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.138 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.6 t -112.14 22.64 14.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.561 0.696 . . . . 0.0 109.834 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -77.27 -60.81 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.272 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 17.0 m -92.52 126.2 37.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.599 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -95.32 5.2 52.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.931 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -66.1 -40.74 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.587 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -80.66 118.41 22.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -156.73 143.16 18.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.44 -176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -132.93 159.11 40.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.795 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.535 176.747 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -136.99 122.71 19.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.86 0.362 . . . . 0.0 110.812 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.76 86.99 7.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.8 m -62.82 -39.19 93.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.833 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 t -108.78 138.21 45.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.79 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.74 149.74 19.43 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.656 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.56 60.04 2.69 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.772 2.315 . . . . 0.0 112.351 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -100.93 -30.34 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.574 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.62 131.24 23.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.54 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.33 128.14 21.83 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.634 2.223 . . . . 0.0 111.7 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 28' ' ' SER . 51.1 Cg_exo -54.87 162.83 4.64 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.807 2.338 . . . . 0.0 111.782 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 8.3 p-10 -54.85 120.7 30.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.211 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 21.7 Cg_exo -66.12 148.87 85.8 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.989 2.459 . . . . 0.0 112.438 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 p -99.72 131.78 45.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.1 t -94.72 121.45 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -97.46 179.94 4.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 111.252 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' HB3' ' HB ' ' B' ' 104' ' ' THR . 15.0 pt20 -130.53 72.01 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.627 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -80.85 -52.58 13.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.58 -174.3 2.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -82.22 -37.57 25.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.734 -0.386 . . . . 0.0 109.966 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -125.93 22.11 7.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.595 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 m -138.18 132.39 31.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.514 HD11 HD12 ' B' ' 72' ' ' ILE . 10.8 pt -116.04 168.39 7.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.501 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 106.84 20.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -89.97 116.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.697 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' B' ' 69' ' ' SER . 47.4 mtm105 -110.24 125.88 53.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.99 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -119.28 151.4 38.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.519 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 67.1 m -96.74 111.94 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 7.0 ppt_? -87.43 152.43 52.28 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.58 -178.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo . . . . . 0 C--O 1.254 1.314 0 C-N-CA 123.63 2.887 . . . . 0.0 113.094 175.383 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' B' ' 35' ' ' ASN . 20.1 ptt? . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 121.009 0.433 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -94.94 80.99 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.902 -173.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.45 38.01 95.06 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.568 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.8 t -114.67 -5.94 12.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.93 0.395 . . . . 0.0 110.307 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.438 ' HB2' ' SD ' ' B' ' 31' ' ' MET . 44.0 t30 -71.24 -65.76 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 0.0 110.247 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.51 133.03 21.58 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.26 77.78 2.0 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.731 2.287 . . . . 0.0 111.987 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -60.52 138.14 92.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.164 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.44 ' HA ' ' CE2' ' B' ' 91' ' ' TYR . 59.8 Cg_endo -73.25 66.14 4.36 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.998 2.466 . . . . 0.0 112.787 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -146.99 44.82 1.17 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.418 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -142.91 101.32 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.483 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.502 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 3.6 mp -91.6 137.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.056 -175.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -86.14 -33.06 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.46 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -166.5 145.51 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.587 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.461 ' HB3' HD21 ' B' ' 85' ' ' LEU . 38.0 m-85 -108.2 123.57 48.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -100.83 119.46 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.005 0.431 . . . . 0.0 110.219 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.75 114.61 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.21 130.76 54.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.455 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.9 p90 -134.15 138.0 44.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 111.039 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 57' ' ' ARG . 62.1 ttp180 -123.84 123.56 26.2 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.19 139.3 54.8 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.226 1.95 . . . . 0.0 110.241 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -64.32 -18.93 65.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.509 0.195 . . . . 0.0 111.475 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -78.76 -8.61 58.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.542 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -105.91 126.28 52.0 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.37 -35.48 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.18 17.8 1.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 119.68 -1.248 . . . . 0.0 114.022 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' B' ' 50' ' ' ARG . 36.0 mmt180 -107.47 110.86 22.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.53 0.681 . . . . 0.0 112.047 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.402 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 86.5 m95 -95.78 135.99 36.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.115 175.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -97.51 129.12 44.7 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -121.97 137.53 54.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 112.118 -168.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.46 138.92 46.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.092 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 40.6 m -104.81 122.38 45.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.429 HG23 HD12 ' B' ' 67' ' ' LEU . 4.4 mp -109.71 126.28 29.46 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.116 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.87 144.45 20.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.336 2.691 . . . . 0.0 112.618 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -76.95 46.9 2.47 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.963 -0.562 . . . . 0.0 114.346 -171.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -151.85 17.91 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.09 0.471 . . . . 0.0 109.752 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.429 HD12 HG23 ' B' ' 63' ' ' ILE . 38.2 mt -118.88 148.64 42.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.683 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -124.62 12.16 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 110.688 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.494 ' HB3' ' HG2' ' A' ' 26' ' ' ARG . 31.2 p -150.3 141.63 23.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -139.06 142.99 38.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.115 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 31.1 m -96.31 101.3 12.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.882 0.372 . . . . 0.0 110.555 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 23' ' ' ILE . 36.6 mt -84.58 124.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -106.65 150.44 26.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.041 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.86 21.02 37.69 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CE2' ' B' ' 101' ' ' PHE . 20.6 mt -97.33 121.92 39.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -101.96 122.35 47.5 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.33 118.22 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.265 1.977 . . . . 0.0 111.181 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.03 -20.72 14.09 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.15 136.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -87.12 126.96 40.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.127 0.489 . . . . 0.0 111.228 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.44 137.41 54.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.275 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 38.7 mt-10 -104.46 123.83 48.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.79 149.25 16.94 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.044 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.46 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 77.8 mt-30 -138.78 130.64 27.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.751 0.31 . . . . 0.0 110.637 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.4 tm? -106.87 116.03 31.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 3.7 mp -107.67 113.5 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.6 p -91.37 108.58 19.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 20.6 mm -91.87 102.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.502 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 44.1 mt-30 -80.49 158.37 25.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.005 0.431 . . . . 0.0 110.579 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -67.77 -6.17 19.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.476 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' B' ' 39' ' ' PRO . 4.5 m-85 -106.45 17.9 22.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.71 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.12 5.08 75.04 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.732 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' B' ' 89' ' ' GLN . 3.5 m170 -72.88 119.94 17.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -124.8 121.3 34.18 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 64.0 mm-40 -121.21 130.18 53.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.259 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -107.89 112.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.226 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -102.4 114.4 28.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 88.3 mtm180 -92.06 129.38 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.855 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -135.02 176.25 8.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.669 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -135.45 154.8 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' B' ' 75' ' ' LEU . 59.6 t80 -134.95 145.69 48.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 24.1 m -144.14 -52.17 0.32 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.213 0.53 . . . . 0.0 109.603 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.7 t -164.97 132.56 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.311 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 17' ' ' GLN . 3.6 m -82.58 -5.61 58.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.28 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 26.9 p -65.22 -42.08 93.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.428 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.4 p -96.81 2.36 51.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 41.0 m -69.01 -66.88 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.66 0.266 . . . . 0.0 111.263 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.2 m -107.82 118.46 52.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.608 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.1 71.36 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.946 2.431 . . . . 0.0 112.4 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.21 -89.97 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -74.47 -34.0 63.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -86.8 133.34 33.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.352 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t 63.97 63.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.511 0.672 . . . . 0.0 109.972 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.63 7.71 28.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.383 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -85.3 60.13 6.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -116.01 -15.67 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.66 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -85.65 126.89 34.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.178 0.513 . . . . 0.0 110.793 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -103.41 161.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.229 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.998 178.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.884 -0.487 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -74.36 -31.04 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.674 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -73.4 144.77 46.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.217 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -144.96 172.04 13.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.929 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p 58.8 177.65 0.07 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.128 0.971 . . . . 0.0 112.491 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.67 83.1 0.23 Allowed Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.461 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.99 90.81 0.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.718 2.279 . . . . 0.0 111.851 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' HB2' ' OE1' ' B' ' 89' ' ' GLN . 6.7 p-10 -76.98 -23.36 52.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.183 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.67 118.53 67.46 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -58.07 131.46 43.59 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.009 2.473 . . . . 0.0 111.721 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.79 -174.67 0.31 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.035 2.49 . . . . 0.0 112.599 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.64 120.4 31.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.731 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.86 143.35 60.69 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.541 2.161 . . . . 0.0 111.28 174.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 m -107.12 134.43 50.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.967 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.531 HG11 ' CD1' ' B' ' 101' ' ' PHE . 48.3 t -108.87 117.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -109.1 129.18 55.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.826 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 111.9 21.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.872 0.367 . . . . 0.0 110.168 -177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -94.76 -22.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' HB2' ' HB2' ' A' ' 22' ' ' SER . 9.1 m-20 -138.5 -175.32 4.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.433 176.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.36 -40.2 27.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 18.5 p -108.38 13.72 25.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.24 -175.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 16.3 m -147.24 134.93 21.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 111.265 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 HD12 ' B' ' 72' ' ' ILE . 19.3 pt -124.13 164.61 22.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.535 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.88 105.41 18.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 p -92.11 115.41 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.265 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -114.55 140.69 48.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.015 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.44 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 27.2 p90 -133.86 136.09 44.13 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -76.1 111.61 11.68 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.84 0.353 . . . . 0.0 110.822 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.41 125.61 71.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.412 178.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 14.2 Cg_endo . . . . . 0 C--O 1.246 0.886 0 C-N-CA 123.883 3.056 . . . . 0.0 112.543 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 42.5 tpp . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.684 0.278 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' B' ' 32' ' ' ARG . 2.8 tmt_? -122.49 110.31 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.02 -115.07 0.31 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.4 p -80.52 -30.17 37.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.327 0.584 . . . . 0.0 109.925 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -81.46 106.06 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.306 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.31 101.89 22.06 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.684 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.69 117.38 4.09 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.976 2.45 . . . . 0.0 112.738 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' B' ' 41' ' ' HIS . 11.4 pt20 -100.22 135.85 20.21 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.5 -11.04 30.75 Favored 'Trans proline' 0 CA--C 1.526 0.101 0 C-N-CA 122.399 2.066 . . . . 0.0 112.586 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -74.89 71.2 2.01 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.673 -176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.49 ' HD2' ' O ' ' B' ' 38' ' ' GLN . 66.9 m-70 -132.94 85.87 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.369 . . . . 0.0 110.149 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.59 HG21 ' CE2' ' B' ' 45' ' ' TYR . 3.0 mp -76.56 135.49 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.487 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.6 m -97.8 -34.67 10.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -163.22 151.78 14.12 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' B' ' 42' ' ' ILE . 22.1 m-85 -111.7 134.3 53.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.6 mp -108.02 109.9 29.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.456 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -96.63 116.36 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -178.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mtm180 -123.69 126.96 47.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.241 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 29.3 p90 -128.58 142.9 50.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 0.0 111.012 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 17.3 ttp85 -133.8 130.38 20.63 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.117 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 14.8 Cg_exo -67.39 130.66 22.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.251 1.967 . . . . 0.0 110.998 173.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -64.16 -23.9 67.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.091 0.472 . . . . 0.0 111.176 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.92 -16.87 57.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -101.54 156.01 17.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -125.48 17.56 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 0.0 110.923 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.17 -124.6 4.02 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.89 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -104.58 169.25 8.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.219 0.533 . . . . 0.0 111.599 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -91.67 136.66 32.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.147 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 43.1 mtpt -81.97 140.76 33.81 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.84 132.75 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -167.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 132.3 41.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.97 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.3 m -104.89 122.39 45.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 0.0 110.626 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.413 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.8 mp -110.72 134.23 20.98 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.137 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.58 139.01 86.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.644 2.23 . . . . 0.0 111.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -64.26 -9.56 36.73 Favored Glycine 0 C--N 1.335 0.491 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.509 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -75.33 -18.95 59.89 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.743 0.417 . . . . 0.0 111.081 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 40.1 mt -97.83 175.39 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.722 0.296 . . . . 0.0 110.761 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 29.7 p-10 -147.52 19.09 1.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -164.44 153.96 13.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . 0.413 ' HB2' HG12 ' B' ' 63' ' ' ILE . 80.7 t80 -143.24 143.39 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.225 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 18.2 m -98.07 100.53 11.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.26 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.588 HD12 HD11 ' A' ' 23' ' ' ILE . 49.1 mt -79.04 107.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.833 0.349 . . . . 0.0 110.194 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -100.47 121.73 42.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.983 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.55 31.94 1.0 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.423 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 21' ' ' THR . 76.3 mt -103.68 122.06 44.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.908 0.385 . . . . 0.0 110.081 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.84 131.77 87.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.207 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.638 ' HA ' HG21 ' B' ' 103' ' ' THR . 16.5 Cg_exo -69.13 132.11 23.62 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.774 2.316 . . . . 0.0 111.693 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.83 10.86 58.46 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.214 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.76 140.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.48 140.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . 0.406 ' HB2' ' HB3' ' B' ' 101' ' ' PHE . 54.8 m-85 -127.1 151.09 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.017 0.437 . . . . 0.0 111.483 -177.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 46.8 mt-10 -103.62 138.18 40.65 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.78 140.53 11.9 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.175 -1.012 . . . . 0.0 112.863 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -125.73 120.43 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.401 HD23 HD23 ' B' ' 47' ' ' LEU . 3.1 tm? -100.77 103.61 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 46' ' ' ILE . 7.5 mt -102.98 108.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.44 -178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 37.6 m -92.01 120.54 32.75 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.3 mm -94.0 109.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' HB2' ' A' ' 8' ' ' ASP . 49.3 mt-30 -96.23 162.0 13.71 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -174.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -47.58 -45.2 27.05 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.742 0.651 . . . . 0.0 111.942 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -81.06 8.52 8.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.772 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.97 3.33 85.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.506 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.62 120.07 15.71 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -104.35 119.74 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -114.41 114.73 26.25 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.399 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.466 HG22 HG23 ' B' ' 86' ' ' ILE . 25.9 t -101.0 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.053 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 31.6 m -102.21 111.38 23.64 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -84.3 148.28 26.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.351 0.596 . . . . 0.0 111.379 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -146.03 168.4 20.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.45 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -123.04 150.16 43.44 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.531 ' CD1' HG11 ' A' ' 15' ' ' VAL . 37.9 t80 -128.52 135.48 49.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.397 0.618 . . . . 0.0 110.904 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -134.52 140.62 46.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.171 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.638 HG21 ' HA ' ' B' ' 77' ' ' PRO . 36.1 p -79.98 -10.2 59.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -164.36 131.42 3.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.965 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 67.1 m -125.55 18.02 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -143.52 16.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.23 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 31.7 t -70.66 -50.65 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.547 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 23.8 m -111.03 105.75 57.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.765 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.61 64.03 6.54 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.873 2.382 . . . . 0.0 112.764 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.63 -30.75 55.87 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.663 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -149.21 148.72 29.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.406 ' HA ' ' CE1' ' B' ' 115' ' ' HIS . 56.4 mtm180 -87.37 -3.52 59.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.338 178.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 23.2 m -76.44 147.57 37.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.221 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 58.85 53.38 5.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.146 0.498 . . . . 0.0 111.221 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . 0.406 ' CE1' ' HA ' ' B' ' 112' ' ' ARG . 10.0 m170 -108.32 18.77 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 174.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -62.75 -36.15 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -86.07 100.41 12.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.013 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 8.4 t60 66.56 91.59 0.08 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.946 0.779 . . . . 0.0 110.982 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.234 178.393 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m -78.57 114.0 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.789 0.294 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -80.52 66.83 6.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.107 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.3 m 59.31 76.44 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.753 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -63.05 -41.2 99.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.823 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.22 97.04 28.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.745 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.11 -74.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.882 2.388 . . . . 0.0 112.206 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -114.61 5.62 15.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.003 0.43 . . . . 0.0 110.3 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -72.19 132.2 84.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.181 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 50.3 Cg_exo -55.19 121.65 10.29 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.696 2.264 . . . . 0.0 111.286 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 1.5 Cg_endo -42.86 -66.8 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.842 3.028 . . . . 0.0 114.146 -172.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -148.57 124.46 5.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.793 -177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 27' ' ' TRP . 5.9 Cg_exo -80.45 128.39 6.99 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 123.058 2.505 . . . . 0.0 111.384 171.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 m -100.36 139.27 36.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG11 ' CD1' ' B' ' 101' ' ' PHE . 72.0 t -108.12 111.91 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.508 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -116.97 157.43 25.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.8 mm-40 57.93 88.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.974 0.796 . . . . 0.0 111.722 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.13 -23.36 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 0.0 110.502 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 13.3 t70 52.2 -143.37 0.69 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.97 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' H ' ' CG ' ' A' ' 19' ' ' ASP . 18.4 t70 -82.85 -54.75 4.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.713 0.292 . . . . 0.0 110.428 175.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -150.59 34.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.555 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 p -150.57 137.15 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.362 -0.211 . . . . 0.0 110.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.681 HD11 HD12 ' B' ' 72' ' ' ILE . 17.3 pt -116.6 161.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.926 0.393 . . . . 0.0 111.314 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.0 t -108.93 105.33 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 170.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.1 117.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.293 0.568 . . . . 0.0 110.025 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -118.84 125.21 49.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.327 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.549 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 19.2 p90 -107.47 129.21 54.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.269 0.557 . . . . 0.0 111.231 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -89.82 127.68 36.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.063 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.83 158.68 86.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.098 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 C--O 1.248 0.984 0 C-N-CA 123.145 2.563 . . . . 0.0 112.064 177.241 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -60.43 127.58 32.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.179 0.514 . . . . 0.0 110.551 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.69 -10.97 68.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.576 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.6 t -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.234 0.54 . . . . 0.0 109.572 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -128.37 68.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.66 90.58 50.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.955 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.19 133.49 53.21 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.864 2.376 . . . . 0.0 111.917 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -102.57 110.92 64.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.419 ' HA ' ' OH ' ' B' ' 91' ' ' TYR . 37.7 Cg_endo -66.81 121.53 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.389 2.06 . . . . 0.0 112.02 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t 60.11 47.55 9.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.711 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.85 129.92 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.369 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 89' ' ' GLN . 2.7 mp -93.52 131.25 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 25.0 t -91.57 -31.03 16.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.518 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -163.36 145.21 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.964 0.411 . . . . 0.0 110.909 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -103.92 131.82 50.77 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' B' ' 48' ' ' ARG . 3.0 mp -109.59 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.418 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -96.72 113.26 24.8 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.469 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 82.4 mtt180 -113.49 132.28 55.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.082 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 26.0 p90 -139.34 141.89 37.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.186 0.517 . . . . 0.0 110.973 177.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -140.96 133.01 14.03 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.612 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -51.72 116.14 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.514 ' HD3' ' CG ' ' B' ' 82' ' ' GLU . 22.6 tptm -79.26 -34.09 42.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.684 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.492 ' HB2' ' H ' ' B' ' 80' ' ' VAL . 8.5 t30 -65.74 -23.8 66.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.852 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 11.5 m -121.79 -169.82 1.94 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.394 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.49 -47.09 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.67 164.29 9.49 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -119.29 141.12 49.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -69.14 114.5 7.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.728 0.299 . . . . 0.0 110.81 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -101.82 134.95 44.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 23.2 mt-10 -122.34 143.82 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.895 0.379 . . . . 0.0 111.425 -173.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.98 130.87 32.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 175.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 53.6 m -102.17 118.21 36.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.249 0.547 . . . . 0.0 110.955 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 4.8 mp -110.29 131.51 21.99 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.292 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.63 146.24 15.58 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.815 2.343 . . . . 0.0 112.193 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.12 40.4 1.23 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.879 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -151.26 17.36 0.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.914 0.387 . . . . 0.0 110.259 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 52.6 mt -124.06 127.57 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.549 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 5.9 m-20 -114.79 40.43 2.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 45.6 t -164.18 133.48 3.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.247 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -140.62 147.76 39.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 21.8 m -106.46 101.91 11.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.681 HD12 HD11 ' A' ' 23' ' ' ILE . 45.7 mt -79.37 128.41 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -113.2 140.11 48.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.729 0.3 . . . . 0.0 110.567 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.84 21.14 12.58 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.786 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 mt -94.21 133.0 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -100.14 122.38 50.56 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.75 131.94 45.04 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.655 2.237 . . . . 0.0 111.82 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.36 -32.55 7.41 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' B' ' 53' ' ' ASN . 97.4 t -82.22 136.99 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.412 -0.394 . . . . 0.0 109.938 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.492 ' H ' ' HB2' ' B' ' 53' ' ' ASN . 15.9 t -87.76 142.19 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.8 143.34 50.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 111.586 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.514 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 52.3 mm-40 -104.0 109.23 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.441 173.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.77 141.07 16.67 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.079 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -131.81 134.85 46.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 110.375 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.34 104.89 16.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.403 HG23 HG22 ' B' ' 96' ' ' VAL . 4.3 mp -96.09 108.22 20.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 17.5 p -91.94 115.29 27.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.16 105.66 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.036 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 48.6 mt-30 -80.28 160.34 25.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.384 0.611 . . . . 0.0 111.15 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -61.78 -15.07 38.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.886 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' B' ' 39' ' ' PRO . 17.8 m-85 -93.65 -2.02 54.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 0.0 110.256 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.12 -13.98 65.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.849 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -62.5 120.32 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 110.238 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -98.9 121.78 41.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.44 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 8.1 mm-40 -111.94 115.88 29.69 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.403 HG22 HG23 ' B' ' 86' ' ' ILE . 59.7 t -104.7 111.15 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.35 -175.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 31.6 m -101.9 112.55 25.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.447 175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.49 142.87 31.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.57 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -136.89 146.68 45.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.109 0.481 . . . . 0.0 110.085 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -101.89 134.22 45.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.487 ' CD1' HG11 ' A' ' 15' ' ' VAL . 50.7 t80 -136.16 135.37 39.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.278 0.561 . . . . 0.0 111.365 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 7.5 t -174.46 141.8 0.72 Allowed 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.114 169.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.5 m -149.64 104.78 3.37 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 19.5 m -84.38 98.47 10.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.094 0.473 . . . . 0.0 110.589 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -84.73 52.06 2.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 17.2 m -84.74 77.41 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.317 0.579 . . . . 0.0 109.527 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 21.9 t -86.78 -13.3 45.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.719 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 41.3 m -117.31 94.63 45.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.922 0.391 . . . . 0.0 111.47 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.92 -17.13 32.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.855 2.37 . . . . 0.0 111.575 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -66.24 -12.19 57.5 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.698 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.6 m -71.47 -18.62 62.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.111 0.481 . . . . 0.0 110.063 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -79.13 -46.9 17.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.685 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 7.2 m -65.39 140.6 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.924 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 50.0 m80 64.45 -134.64 0.29 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 62.5 31.04 17.22 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.445 0.465 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -96.51 3.76 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 109.883 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -140.16 45.47 1.87 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.974 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 67.36 -71.6 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.363 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 55.1 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.983 -178.665 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 5' ' ' THR . 20.3 m -86.69 16.06 5.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.122 0.487 . . . . 0.0 111.222 -177.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -78.66 -41.22 31.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.0 m -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' A' ' 2' ' ' SER . 25.7 m -88.71 92.81 9.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.034 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.99 86.48 42.11 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.422 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.22 67.19 7.63 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.682 2.255 . . . . 0.0 110.537 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -87.95 53.79 2.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.546 -168.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.65 ' HB2' ' CG ' ' B' ' 95' ' ' GLU . . . -92.55 147.56 34.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.371 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.45 120.7 8.36 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.722 2.282 . . . . 0.0 110.739 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 28' ' ' SER . 53.3 Cg_exo -54.68 -40.03 86.33 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.602 2.868 . . . . 0.0 114.319 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.3 117.02 2.99 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.758 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' B' ' 99' ' ' PHE . 3.2 Cg_exo -83.92 114.67 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.92 2.413 . . . . 0.0 110.543 167.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -99.97 141.19 33.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG21 ' CB ' ' B' ' 101' ' ' PHE . 94.4 t -98.04 126.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 15.7 t70 -124.34 126.86 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.449 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 2.2 mp0 70.44 142.79 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.264 0.625 . . . . 0.0 111.764 -175.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' HG22 ' A' ' 23' ' ' ILE . 33.8 t -121.0 -22.44 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.747 174.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 t70 53.22 -141.7 0.84 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.736 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.35 -54.4 5.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.907 0.384 . . . . 0.0 110.28 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -148.88 35.47 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.435 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 77.9 p -153.18 131.94 12.37 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.506 -175.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD11 HD12 ' B' ' 72' ' ' ILE . 15.8 pt -115.41 161.22 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.658 0.266 . . . . 0.0 110.498 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -109.66 105.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 170.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -98.7 118.84 45.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.126 0.489 . . . . 0.0 110.257 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' B' ' 69' ' ' SER . 78.8 mtp180 -122.26 133.94 54.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.336 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 16.2 p90 -116.14 134.28 55.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.242 0.544 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.467 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 45.5 m -87.77 146.4 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -86.6 151.28 52.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 C--O 1.251 1.156 0 C-N-CA 122.761 2.307 . . . . 0.0 112.057 177.645 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.896 0.379 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -85.37 63.62 8.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.222 0.534 . . . . 0.0 110.061 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.86 27.79 4.8 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.334 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -80.18 -58.47 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -102.37 123.7 46.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.044 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.93 73.88 0.84 Allowed Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.786 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.8 161.46 45.85 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.691 2.261 . . . . 0.0 111.657 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -81.08 119.49 76.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.21 -175.43 0.83 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.911 2.407 . . . . 0.0 112.843 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -51.46 117.24 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 112.793 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -144.19 161.06 39.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.136 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.408 HG21 ' CE1' ' B' ' 45' ' ' TYR . 1.7 mp -105.88 131.1 56.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.335 0.588 . . . . 0.0 110.358 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.8 m -78.2 -42.21 32.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.736 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -159.3 144.72 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.667 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HA2' ' B' ' 65' ' ' GLY . 94.2 m-85 -104.52 127.47 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.51 117.59 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.85 115.72 27.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.477 -0.783 . . . . 0.0 108.89 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 97.2 mtt180 -115.53 137.36 52.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.646 176.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.431 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.4 p90 -141.89 145.79 35.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.699 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.492 ' HB2' ' CD2' ' B' ' 58' ' ' TRP . 2.7 tmm_? -138.88 130.86 15.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.553 -177.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.94 114.96 3.01 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -62.6 -38.98 92.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.226 -172.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -91.57 5.25 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.021 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -126.74 154.07 44.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.431 . . . . 0.0 110.959 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 m -82.09 33.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 0.0 111.494 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -178.94 52.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.635 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 7.0 mpt_? -107.52 178.17 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.492 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 61.2 m95 -90.18 114.46 26.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.832 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 81.7 mttt -78.83 155.94 28.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -123.22 127.36 48.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 111.765 -174.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.47 127.83 50.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.431 170.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 23.6 m -101.73 116.76 33.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.004 0.431 . . . . 0.0 110.849 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 mp -110.9 127.78 26.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.184 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.05 141.74 36.61 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.575 2.183 . . . . 0.0 111.479 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.509 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -76.2 49.64 2.62 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.809 -172.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -167.0 24.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.53 -45.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.385 0.612 . . . . 0.0 110.01 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.564 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 4.3 m-20 63.17 21.51 12.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.036 169.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.463 ' HB3' ' HG2' ' A' ' 26' ' ' ARG . 5.7 p -160.03 134.87 7.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.824 -178.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -143.65 139.88 29.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 85.1 m -96.26 103.48 15.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.079 174.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 23' ' ' ILE . 32.8 mt -79.88 120.99 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.24 160.15 16.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.787 0.327 . . . . 0.0 110.137 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.97 58.14 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.881 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.43 122.13 33.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -85.04 130.13 53.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.447 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.68 131.17 25.2 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.709 2.273 . . . . 0.0 111.884 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.85 -12.93 68.51 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.875 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 90.7 t -94.02 127.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.988 0.423 . . . . 0.0 110.104 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.73 132.77 31.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.569 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -120.01 137.33 54.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 45.0 mt-10 -103.55 124.8 49.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.37 155.44 16.09 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.016 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.502 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 27.6 mt-30 -142.66 121.34 12.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.14 -0.53 . . . . 0.0 110.227 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.33 110.35 22.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.444 HG23 HG22 ' B' ' 96' ' ' VAL . 16.9 mt -101.82 110.44 28.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.151 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.9 p -91.74 107.6 19.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.558 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.0 mm -84.93 107.1 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -82.66 176.97 8.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.892 -173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -55.59 -45.58 77.41 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.09 4.62 37.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 111.047 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.42 7.95 60.17 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.943 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -65.73 119.88 11.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -92.26 121.88 34.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.65 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 5.7 tp10 -124.7 131.64 53.45 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.444 HG22 HG23 ' B' ' 86' ' ' ILE . 35.6 t -115.7 118.84 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.974 0.416 . . . . 0.0 111.577 -172.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -101.04 114.84 29.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.654 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.502 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 58.4 mtm180 -95.31 135.1 37.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.712 -173.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.503 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 28.9 p90 -144.82 164.82 29.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.342 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -122.91 140.38 53.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CB ' HG21 ' A' ' 15' ' ' VAL . 35.6 p90 -148.41 144.57 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.53 0.681 . . . . 0.0 111.887 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 27.7 m -155.29 -50.54 0.09 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.853 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.15 125.64 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.696 175.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -70.71 -22.55 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.451 . . . . 0.0 110.495 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -91.8 84.43 5.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.2 t -129.79 32.19 4.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t 63.05 78.85 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.814 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 21.3 p -114.1 96.1 40.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.321 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.77 -5.87 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.611 2.207 . . . . 0.0 112.288 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.36 126.25 2.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.197 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -74.55 -8.52 56.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.258 0.551 . . . . 0.0 110.321 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -61.32 -28.61 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.648 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 20.8 t -90.42 103.81 16.46 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 110.108 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -150.2 41.96 0.83 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.587 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -61.59 101.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 61.97 29.07 17.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.305 -173.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 57.97 26.0 12.9 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.264 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -64.57 -63.03 1.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 . . . . . 0 C--O 1.247 0.923 0 O-C-N 123.709 0.631 . . . . 0.0 111.224 175.288 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -82.17 78.65 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.126 0.489 . . . . 0.0 110.754 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 49.4 mt-30 -97.66 79.61 2.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.184 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -91.68 -26.99 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.235 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.469 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 9.4 p -83.48 -14.02 53.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.758 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 3' ' ' GLN . . . -94.88 105.41 18.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 5' ' ' THR . 89.7 Cg_endo -85.91 175.32 5.93 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.612 2.208 . . . . 0.0 111.79 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.56 20.0 18.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.401 0.619 . . . . 0.0 109.424 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.21 127.38 53.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.492 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.73 130.09 29.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.18 2.587 . . . . 0.0 112.172 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 28' ' ' SER . 88.6 Cg_exo -45.7 146.73 3.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.331 2.687 . . . . 0.0 112.252 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.62 114.71 0.84 Allowed Pre-proline 0 N--CA 1.469 0.49 0 O-C-N 124.433 1.083 . . . . 0.0 111.984 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' B' ' 99' ' ' PHE . 98.5 Cg_exo -47.56 141.01 15.67 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.868 3.045 . . . . 0.0 113.687 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -99.69 114.19 27.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.178 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' HB ' ' CB ' ' B' ' 105' ' ' SER . 75.0 t -104.79 125.35 59.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 120.89 0.376 . . . . 0.0 110.276 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -80.28 -179.64 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -59.57 130.82 48.72 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.136 0.493 . . . . 0.0 110.609 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG12 HG23 ' B' ' 103' ' ' THR . 8.6 p -66.33 133.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.03 -177.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -82.17 -151.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.424 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.08 -54.1 49.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -150.16 35.3 0.66 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 13.8 m -147.89 150.44 34.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.741 0.305 . . . . 0.0 111.379 -177.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.624 HD11 HD12 ' B' ' 72' ' ' ILE . 14.2 pt -127.6 154.21 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.088 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -103.89 106.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.04 115.15 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 26' ' ' ARG . 29.1 mtt180 -103.26 159.48 15.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.951 -177.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -148.22 134.77 19.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.916 0.388 . . . . 0.0 110.343 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.569 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 30.1 m -80.98 111.39 17.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.05 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HD3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -60.64 139.75 92.86 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.34 177.245 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.591 2.194 . . . . 0.0 111.563 177.731 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.553 0.216 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -152.29 179.42 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.628 0.252 . . . . 0.0 110.348 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.08 -149.27 9.05 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.836 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.6 p -68.27 -58.26 4.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.763 0.316 . . . . 0.0 110.669 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -173.46 140.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.99 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.52 96.37 43.24 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.99 103.45 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 112.401 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.06 125.72 89.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.759 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.04 69.0 3.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.941 2.427 . . . . 0.0 112.362 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 63.1 p -147.97 -150.3 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.739 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 69.76 89.04 0.1 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.147 0.499 . . . . 0.0 110.575 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.443 ' N ' HD12 ' B' ' 42' ' ' ILE . 3.2 mp -85.64 119.53 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.098 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -75.02 -33.17 61.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.084 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -164.91 147.12 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.226 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.77 124.17 49.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 46' ' ' ILE . 2.9 mp -102.9 120.75 53.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.911 0.386 . . . . 0.0 110.276 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -96.48 114.74 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 80.7 mtt180 -114.23 137.41 51.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.436 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.3 p90 -142.47 156.18 45.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.75 0.31 . . . . 0.0 110.733 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -148.72 134.92 9.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.339 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.9 124.66 13.43 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.202 . . . . 0.0 111.735 174.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.582 ' HB2' HG23 ' B' ' 80' ' ' VAL . 8.0 mmtp -78.83 -29.97 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.673 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -61.04 -36.04 78.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -115.25 -171.46 1.96 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 p -61.15 -48.22 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.46 151.47 3.08 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.869 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -118.83 138.42 52.73 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -75.95 126.57 31.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.852 0.358 . . . . 0.0 110.063 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 26.6 mtpp -104.02 144.35 31.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.843 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -113.51 123.09 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.743 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.04 115.82 26.14 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 61.3 m -90.96 118.94 30.75 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.112 0.482 . . . . 0.0 110.742 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.494 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 5.4 mp -110.16 126.54 28.75 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.33 144.96 12.28 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.001 2.467 . . . . 0.0 112.322 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.19 -4.85 17.83 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 114.179 -172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -103.75 14.93 29.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.186 0.493 . . . . 0.0 111.456 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.494 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 70.9 mt -118.65 150.01 40.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.461 ' OD1' ' HD2' ' A' ' 29' ' ' ARG . 13.9 m120 -127.9 21.82 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.416 -177.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.0 p -159.34 145.07 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.391 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -137.34 142.67 41.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.016 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -99.77 105.43 17.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.624 HD12 HD11 ' A' ' 23' ' ' ILE . 27.3 mt -82.27 116.49 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -109.69 130.12 55.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.276 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.96 4.23 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.056 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 99.2 mt -103.66 138.07 40.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -93.53 121.24 65.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.387 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.3 131.71 37.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.482 2.122 . . . . 0.0 111.717 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.31 -27.97 17.96 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.652 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 85.5 t -86.98 132.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' B' ' 52' ' ' LYS . 31.5 m -83.83 137.93 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.248 0.547 . . . . 0.0 110.81 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -127.1 156.01 42.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.443 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 68.2 mm-40 -103.22 140.41 37.4 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -125.02 130.32 7.34 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.397 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.484 ' OE1' ' HG2' ' B' ' 98' ' ' ARG . 71.5 mm-40 -123.84 114.52 19.97 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' B' ' 47' ' ' LEU . 3.1 tm? -100.53 101.64 12.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.465 HG23 HG22 ' B' ' 96' ' ' VAL . 4.2 mp -96.5 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 -178.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -91.25 117.36 29.58 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' B' ' 94' ' ' GLN . 40.4 mm -96.36 114.09 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.217 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -88.61 162.22 16.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.969 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -57.26 -34.08 68.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.177 0.513 . . . . 0.0 111.056 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.27 11.19 5.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.497 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.5 13.51 83.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.551 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -83.44 128.03 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.413 ' HG2' ' CD1' ' B' ' 88' ' ' ILE . 77.0 mt-30 -105.7 120.0 40.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.918 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -113.17 113.74 25.78 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.465 HG22 HG23 ' B' ' 86' ' ' ILE . 40.4 t -109.83 110.05 30.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -174.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 18.5 m -92.01 115.01 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.715 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.484 ' HG2' ' OE1' ' B' ' 84' ' ' GLN . 45.3 mtp85 -86.59 133.5 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 24.7 p90 -153.12 178.6 9.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.82 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -145.63 153.27 40.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -144.69 152.46 40.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.963 0.411 . . . . 0.0 111.093 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 40.8 m -151.38 -60.19 0.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.149 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.401 HG23 HG12 ' A' ' 18' ' ' VAL . 87.5 m -156.76 -56.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -97.23 65.52 2.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.189 0.518 . . . . 0.0 110.752 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.478 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . 36.0 t -82.03 -66.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 71.6 m -123.71 94.2 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 109.81 171.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 24.5 m -151.28 106.33 3.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.541 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.6 m -109.79 97.82 30.52 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.3 -33.78 13.94 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.374 2.049 . . . . 0.0 111.918 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -99.45 50.56 1.15 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.903 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 11.0 p -70.67 -40.67 72.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 55.0 74.69 0.35 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.28 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 19.7 m -80.84 60.66 4.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.057 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -111.23 34.02 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.173 0.987 . . . . 0.0 109.114 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -135.9 34.38 2.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.331 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.518 ' HA ' ' OXT' ' B' ' 119' ' ' HIS . 35.3 t60 -81.96 52.97 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 -170.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -100.72 79.02 2.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 171.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 62.2 t60 65.35 34.29 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.459 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.518 ' OXT' ' HA ' ' B' ' 116' ' ' HIS . 83.9 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.678 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -84.48 79.47 9.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.908 0.385 . . . . 0.0 110.973 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -79.21 -29.23 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.127 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -85.69 -76.78 0.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.887 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -144.42 -72.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' N ' ' HD3' ' A' ' 7' ' ' PRO . . . -144.86 58.1 5.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.149 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 81.8 Cg_endo -90.18 145.42 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.463 2.109 . . . . 0.0 111.87 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.27 54.77 2.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.41 0.624 . . . . 0.0 110.326 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . . . -73.96 134.26 78.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.84 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 33.4 Cg_exo -58.66 125.97 19.89 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 111.502 175.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -59.27 173.77 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.049 2.499 . . . . 0.0 112.848 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 28.6 t70 -46.41 115.18 2.99 Favored Pre-proline 0 C--O 1.237 0.399 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.01 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 17.6 Cg_exo -67.42 120.97 8.03 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.903 2.402 . . . . 0.0 111.092 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.2 m -104.68 132.1 51.33 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.16 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.3 t -95.33 112.77 28.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.083 0.468 . . . . 0.0 110.557 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' HD3' ' A' ' 26' ' ' ARG . 27.6 m-20 -107.05 155.18 20.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.821 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 56.18 72.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.696 0.622 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 23' ' ' ILE . 59.8 t -86.73 117.99 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -93.15 -159.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' HA ' ' OG1' ' B' ' 104' ' ' THR . 37.6 m-20 -78.34 -49.6 13.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.436 HG22 ' O ' ' B' ' 75' ' ' LEU . 33.3 p -122.86 11.22 9.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.252 -175.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 25.4 p -144.8 151.25 38.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.847 0.356 . . . . 0.0 111.229 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.69 HD11 HD12 ' B' ' 72' ' ' ILE . 19.0 pt -139.28 163.17 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -109.2 103.88 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.86 115.63 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.277 0.561 . . . . 0.0 109.519 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.489 ' HD3' ' OD2' ' A' ' 16' ' ' ASP . 68.6 mtp180 -111.41 141.48 44.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.038 -173.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 21.9 p90 -121.67 132.33 54.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 0.0 110.002 175.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 12.1 m -74.84 159.67 31.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.758 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -76.78 125.63 86.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.222 176.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.956 2.437 . . . . 0.0 112.102 -178.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.4 66.16 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.151 0.5 . . . . 0.0 109.677 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 156.35 26.29 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -78.1 115.45 17.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.2 m120 56.59 69.53 0.73 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.921 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.46 113.99 15.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.39 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' O ' ' HD3' ' B' ' 39' ' ' PRO . 72.7 Cg_exo -50.01 121.68 7.91 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.223 2.615 . . . . 0.0 112.986 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 41' ' ' HIS . 32.2 mm-40 -98.9 105.47 31.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.237 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' B' ' 37' ' ' PRO . 27.7 Cg_exo -62.16 -44.62 18.72 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.709 2.273 . . . . 0.0 111.521 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 36.0 p -63.68 -52.98 58.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.811 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' B' ' 90' ' ' GLN . 86.3 t60 51.8 79.53 0.1 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.168 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' B' ' 45' ' ' TYR . 3.2 mp -66.79 113.98 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 177.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.6 m -70.26 -39.13 75.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.7 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -165.03 151.79 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.728 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.455 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 87.6 m-85 -107.65 129.51 55.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.423 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.6 mp -105.72 117.08 50.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.038 0.447 . . . . 0.0 110.015 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.537 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.3 OUTLIER -99.71 114.01 26.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 50.0 mtm180 -120.18 126.52 50.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.537 ' CE3' HD12 ' B' ' 47' ' ' LEU . 20.2 p90 -140.23 159.56 41.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.414 ' HG2' ' CZ3' ' B' ' 58' ' ' TRP . 21.9 ptt180 -157.5 145.63 14.16 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.536 175.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.405 ' HB2' ' OD1' ' B' ' 53' ' ' ASN . 41.8 Cg_endo -68.5 143.03 55.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.327 2.018 . . . . 0.0 111.46 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -61.01 -18.93 60.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.173 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.405 ' OD1' ' HB2' ' B' ' 51' ' ' PRO . 2.6 p-10 -84.37 -4.46 58.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.775 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -129.35 120.17 25.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.718 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -98.48 19.82 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.004 0.906 . . . . 0.0 109.882 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.77 -127.62 2.96 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.311 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.39 149.72 40.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.362 0.601 . . . . 0.0 112.166 -173.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.414 ' CZ3' ' HG2' ' B' ' 50' ' ' ARG . 86.3 m95 -91.95 131.53 37.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.355 172.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 58.5 mttm -77.3 134.75 38.44 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -114.17 138.82 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 111.902 -170.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.78 138.36 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 39.9 m -110.7 117.06 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.954 0.407 . . . . 0.0 110.773 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mp -112.2 132.15 22.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.192 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.71 138.06 59.33 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.644 2.229 . . . . 0.0 111.728 174.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.455 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -63.51 -12.26 45.32 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 113.141 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -75.14 -24.77 58.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.619 0.247 . . . . 0.0 111.026 176.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.11 155.01 20.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.822 0.344 . . . . 0.0 110.512 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.6 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 14.9 m120 -127.7 11.26 6.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 60.1 p -153.41 134.67 14.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.976 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -124.85 139.46 53.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.779 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 18.1 m -100.72 98.2 8.77 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.69 HD12 HD11 ' A' ' 23' ' ' ILE . 51.0 mt -70.62 129.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.727 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -122.43 140.54 52.59 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.95 15.97 27.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.512 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' THR . 82.4 mt -76.5 168.35 20.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 77' ' ' PRO . 52.0 mtmt -116.88 129.06 25.58 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.577 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 76' ' ' LYS . 17.0 Cg_exo -66.41 131.58 26.82 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.63 2.22 . . . . 0.0 111.972 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.8 4.32 72.78 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.573 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 62.2 t -114.24 135.79 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.64 145.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.655 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -126.54 152.52 46.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.317 0.579 . . . . 0.0 112.001 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -103.55 143.99 32.01 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 171.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.8 141.68 7.95 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.857 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -131.08 131.25 44.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.794 0.33 . . . . 0.0 110.3 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' B' ' 45' ' ' TYR . 3.2 tm? -92.95 107.58 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.483 HG23 HG22 ' B' ' 96' ' ' VAL . 15.1 mt -98.88 112.19 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.322 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.418 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 30.4 p -96.53 126.11 41.48 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 42.1 mm -103.44 111.5 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.414 ' HG2' HG13 ' B' ' 42' ' ' ILE . 72.9 mt-30 -98.54 179.12 4.8 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.467 ' HB2' ' HB3' ' B' ' 41' ' ' HIS . 9.9 tt0 -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.492 -176.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.82 16.17 1.22 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.6 15.28 81.35 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.334 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.5 120.41 17.04 Favored 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.735 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -99.83 118.54 36.51 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 168.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.418 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 71.6 mm-40 -117.6 114.23 23.1 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.483 HG22 HG23 ' B' ' 86' ' ' ILE . 47.1 t -104.12 107.53 22.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.518 -175.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 10.9 m -99.02 109.29 22.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.921 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -79.39 133.61 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 -176.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -135.66 155.71 50.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.114 0.483 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.36 140.81 49.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.622 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -157.39 171.0 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.924 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -163.22 138.71 6.69 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.948 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.06 119.38 27.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.864 -177.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 42.7 m 76.27 -16.34 0.62 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 2.5 m -78.2 35.99 0.23 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.056 -0.402 . . . . 0.0 111.764 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.3 p -89.35 -9.38 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.16 0.505 . . . . 0.0 110.399 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -81.32 55.81 2.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.728 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 12.3 p -80.87 147.19 61.4 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.07 89.16 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -114.65 -114.52 3.04 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.77 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t 56.32 41.64 28.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.286 0.565 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -105.66 6.78 32.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.285 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 16.2 m 62.67 24.95 14.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.459 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -136.9 49.14 2.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.995 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -113.19 20.79 15.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.026 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -112.13 38.56 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.826 0.822 . . . . 0.0 109.124 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -69.07 120.91 15.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.499 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -99.33 173.49 6.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.898 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.867 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -73.62 -48.61 31.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.083 0.468 . . . . 0.0 109.943 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -178.09 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.929 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.7 m -128.26 108.87 10.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.689 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.5 m -76.22 69.47 2.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.397 0.618 . . . . 0.0 110.977 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.53 ' N ' ' HD3' ' A' ' 7' ' ' PRO . . . -154.7 58.7 2.12 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.023 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -85.41 152.48 10.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.884 2.389 . . . . 0.0 111.597 178.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.72 -49.79 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.901 0.381 . . . . 0.0 111.185 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.01 141.03 24.88 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.95 127.35 23.99 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.905 2.404 . . . . 0.0 111.938 176.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -43.21 -61.4 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.742 2.962 . . . . 0.0 114.075 -173.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -151.94 117.57 3.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.103 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -74.51 114.92 4.15 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.402 2.068 . . . . 0.0 110.296 170.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -110.03 141.76 42.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.478 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' B' ' 101' ' ' PHE . 86.4 t -95.86 112.22 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.521 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -121.68 166.94 13.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 52.98 61.53 3.13 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.839 0.712 . . . . 0.0 111.867 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.72 113.16 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.56 -150.35 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.66 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.83 -50.87 67.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER -148.28 36.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.49 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 p -144.91 143.8 30.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.205 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.571 HD11 HD12 ' B' ' 72' ' ' ILE . 11.0 pt -127.41 169.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -117.66 105.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 167.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 69' ' ' SER . 2.4 p -89.51 113.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.18 143.96 31.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.008 -173.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.5 p90 -143.75 146.76 33.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.972 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -97.03 111.92 23.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 7.0 ppt_? -70.58 149.59 95.47 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.895 2.396 . . . . 0.0 112.367 176.33 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.869 0.366 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -143.14 26.68 1.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.51 -162.44 10.31 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 m -85.74 -43.96 12.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.055 0.455 . . . . 0.0 110.581 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -130.65 140.41 50.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.83 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.91 125.04 58.48 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.147 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.64 107.55 1.07 Allowed 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.322 2.015 . . . . 0.0 111.316 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 38' ' ' GLN . 16.1 mm-40 -97.03 114.14 64.17 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.236 -175.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.428 ' HA ' ' NE2' ' B' ' 90' ' ' GLN . 46.7 Cg_endo -71.26 -23.11 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.403 2.069 . . . . 0.0 111.433 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 7' ' ' PRO . 8.9 m -89.28 21.41 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.098 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -86.25 131.97 34.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.818 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' B' ' 45' ' ' TYR . 1.7 mp -88.41 134.47 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.778 -176.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.4 p -86.84 -34.74 19.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.878 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -164.86 153.25 12.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.43 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.47 ' HB2' ' HB ' ' B' ' 63' ' ' ILE . 41.9 m-85 -110.4 130.81 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.412 HD12 ' N ' ' B' ' 46' ' ' ILE . 2.5 mp -104.96 112.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.432 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -99.39 118.0 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 41.0 mtm180 -128.38 130.59 47.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.432 ' CE3' HD12 ' B' ' 47' ' ' LEU . 22.4 p90 -137.77 145.72 42.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.861 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 17.7 ptt180 -135.08 133.17 20.62 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.291 176.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 7.5 Cg_exo -72.3 135.23 24.29 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.469 2.112 . . . . 0.0 110.975 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -63.3 -22.66 67.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.785 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -81.94 -11.55 58.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.831 177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.2 m -100.55 142.73 31.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.859 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.31 15.54 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-O 121.896 0.855 . . . . 0.0 110.307 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.84 -128.74 3.25 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.918 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -103.43 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.971 0.415 . . . . 0.0 111.196 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -77.61 129.91 36.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.231 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 55.1 mtpt -78.0 128.25 33.59 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -117.4 149.26 40.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.538 . . . . 0.0 111.909 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.18 149.91 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.514 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -112.48 124.07 51.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.916 0.388 . . . . 0.0 110.644 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.47 ' HB ' ' HB2' ' B' ' 45' ' ' TYR . 4.5 mp -113.32 128.14 26.02 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.862 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.57 139.78 37.61 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.978 2.452 . . . . 0.0 112.198 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -75.65 52.93 2.81 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.383 -174.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -161.9 21.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.119 0.485 . . . . 0.0 110.398 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.431 HD12 HG23 ' B' ' 63' ' ' ILE . 69.3 mt -117.11 162.97 16.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 176.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.55 -1.41 10.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 38.2 p -157.33 158.97 37.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.043 0.449 . . . . 0.0 111.67 -177.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -142.93 137.84 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.184 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 30.6 m -87.55 99.58 12.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.571 HD12 HD11 ' A' ' 23' ' ' ILE . 49.2 mt -82.44 121.11 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.15 131.16 55.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.82 0.343 . . . . 0.0 110.394 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.98 20.01 5.79 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.204 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' THR . 29.4 mt -103.96 123.19 46.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 110.79 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.53 121.95 67.76 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.212 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.29 118.59 5.48 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.409 2.073 . . . . 0.0 111.735 177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.26 -19.28 22.59 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.52 134.48 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.3 t -79.97 114.36 20.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.239 0.542 . . . . 0.0 111.321 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -111.97 136.5 51.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.815 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -103.55 133.32 48.78 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.75 160.53 27.98 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.601 -1.285 . . . . 0.0 113.292 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -137.5 134.67 36.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.497 -0.351 . . . . 0.0 110.391 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.428 HD23 HD23 ' B' ' 47' ' ' LEU . 3.3 tm? -101.73 102.21 12.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 4.2 mp -98.73 113.55 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 17.0 m -97.35 132.05 43.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.553 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.9 mm -99.48 126.52 52.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.58 -177.99 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.98 0.419 . . . . 0.0 112.032 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' B' ' 39' ' ' PRO . 7.2 tt0 -53.51 -44.99 69.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.905 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -86.34 13.25 8.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.496 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.51 17.2 79.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.991 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.35 129.13 35.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -99.14 121.55 41.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 0.0 110.748 -176.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 69.2 mm-40 -106.62 114.33 28.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.618 175.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 49.7 t -104.32 107.44 22.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.911 0.386 . . . . 0.0 110.806 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 13.8 m -106.52 111.92 24.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -86.56 149.16 25.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.426 -174.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -150.91 176.83 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.979 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -144.03 169.96 16.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.508 ' CD1' HG11 ' A' ' 15' ' ' VAL . 33.0 t80 -131.02 134.38 46.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 110.694 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.4 p 41.02 47.4 2.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 8.6 m -96.32 -33.39 11.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 11.3 m -81.95 66.31 7.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.616 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 20.0 m -91.26 30.49 1.26 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.81 56.56 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.192 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.2 m -77.02 -41.53 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 29.3 m -137.55 81.84 29.04 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.515 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.07 144.14 18.43 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.033 2.488 . . . . 0.0 112.245 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.66 116.76 4.3 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.73 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 5.0 p -92.31 -54.5 3.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 56.31 74.43 0.39 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.45 0.469 . . . . 0.0 110.494 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 11.1 p -63.25 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.345 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -72.37 -9.9 59.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.415 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.66 15.91 22.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.36 . . . . 0.0 110.718 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -120.5 105.64 11.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.37 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -70.28 -28.59 65.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.401 . . . . 0.0 110.408 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -80.38 75.77 7.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.158 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.276 178.32 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -97.8 -48.98 4.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.612 0.244 . . . . 0.0 110.622 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -78.82 99.15 6.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 0.0 110.724 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 m -125.54 96.88 4.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.135 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -75.36 146.7 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.018 0.437 . . . . 0.0 110.245 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.556 ' H ' ' CD ' ' A' ' 7' ' ' PRO . . . -147.55 -46.88 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.059 -176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' CD ' ' H ' ' A' ' 6' ' ' ALA . 37.3 Cg_exo -62.06 106.51 0.47 Allowed 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.814 1.676 . . . . 0.0 112.58 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -98.63 16.64 21.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.486 0.66 . . . . 0.0 110.131 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.88 135.74 21.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.054 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.92 123.36 11.81 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 0.0 111.408 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -52.4 153.04 14.31 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.993 2.462 . . . . 0.0 112.484 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.9 m-20 -44.67 116.05 2.57 Favored Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.952 -176.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 36.6 Cg_exo -62.1 147.51 94.95 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.287 2.658 . . . . 0.0 112.677 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -111.18 138.5 47.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.0 t -101.63 120.87 51.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.78 0.324 . . . . 0.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.38 167.13 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 47.81 70.79 0.39 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.104 0.878 . . . . 0.0 111.707 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 p -86.63 121.07 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.271 0.558 . . . . 0.0 110.887 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -97.82 -157.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.78 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.62 -48.87 65.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.287 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 22.4 p -135.29 22.98 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.097 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 12.3 p -144.73 146.92 32.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.726 0.298 . . . . 0.0 111.622 -178.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.618 HD11 HD12 ' B' ' 72' ' ' ILE . 17.7 pt -135.88 160.23 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.999 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -106.25 105.54 18.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p -100.73 120.15 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.483 . . . . 0.0 109.872 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -126.63 154.98 43.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.211 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' B' ' 68' ' ' ASN . 35.9 p90 -142.89 164.84 29.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.409 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 149.33 21.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.343 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 14.0 mmm180 -74.19 138.43 75.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.995 176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 29' ' ' ARG . 8.6 Cg_exo . . . . . 0 C--O 1.245 0.872 0 C-N-CA 122.474 2.116 . . . . 0.0 111.789 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 91.1 mtp . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 52.47 42.67 31.33 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.537 . . . . 0.0 110.967 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.39 55.39 0.46 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.273 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -136.34 40.41 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.929 0.395 . . . . 0.0 110.125 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.9 m120 56.99 61.41 2.6 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.262 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.86 85.79 0.17 Allowed Pre-proline 0 C--O 1.235 0.323 0 O-C-N 123.784 0.677 . . . . 0.0 110.042 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.91 84.26 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.062 2.508 . . . . 0.0 113.152 -176.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' B' ' 41' ' ' HIS . 48.2 mt-30 -105.63 113.3 64.21 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.971 175.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.36 -37.23 97.37 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.66 2.24 . . . . 0.0 111.021 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.0 t -87.28 61.01 6.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.482 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' B' ' 38' ' ' GLN . 6.9 t-80 -110.81 87.71 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.507 HG21 ' CE1' ' B' ' 45' ' ' TYR . 3.6 mp -87.35 132.31 32.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.859 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -88.42 -37.65 15.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.318 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -161.38 151.81 17.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' HG21 ' B' ' 42' ' ' ILE . 67.2 m-85 -110.4 137.93 47.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 3.0 mp -110.74 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.39 121.59 39.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 53.4 mtm180 -127.38 133.34 50.04 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.517 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 30.8 p90 -132.14 147.66 52.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.222 0.534 . . . . 0.0 111.49 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 56.8 ttp180 -145.22 134.41 11.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.912 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.88 135.15 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.452 2.101 . . . . 0.0 111.895 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.432 ' HG3' ' CG1' ' B' ' 80' ' ' VAL . 42.2 mmtt -62.72 -32.26 73.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.399 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -92.5 -14.27 28.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.639 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -129.06 117.19 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.441 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 9.5 p -70.62 -41.03 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.43 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 33.91 -110.56 0.06 OUTLIER Glycine 0 C--N 1.341 0.855 0 O-C-N 124.151 0.907 . . . . 0.0 114.196 173.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 0.3 OUTLIER -154.32 154.68 33.77 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.04 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 62.0 mttp -92.77 130.68 38.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.4 ' HG2' ' HD2' ' B' ' 48' ' ' ARG . 27.0 mt-10 -115.25 124.41 51.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 0.0 111.157 -173.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 137.66 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.279 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 33.5 m -103.55 121.3 42.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.081 0.467 . . . . 0.0 111.067 -178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.5 mp -111.83 129.81 23.82 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.436 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.15 136.48 24.22 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.687 2.258 . . . . 0.0 111.879 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' B' ' 45' ' ' TYR . . . -74.37 49.91 1.99 Allowed Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.533 -0.365 . . . . 0.0 113.904 -172.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -168.15 30.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.734 0.302 . . . . 0.0 110.835 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -117.69 -52.74 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.678 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.584 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 3.9 m-20 63.81 27.68 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.667 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 13.7 p -156.59 133.25 10.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.09 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' B' ' 63' ' ' ILE . 49.4 t80 -147.71 140.26 24.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 21.6 m -104.48 98.9 8.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.377 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.618 HD12 HD11 ' A' ' 23' ' ' ILE . 44.9 mt -70.7 129.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.794 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -123.11 124.69 43.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 0.0 110.705 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.64 4.28 6.87 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.227 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' THR . 86.3 mt -74.47 122.85 23.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.37 130.97 83.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.21 120.15 7.27 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.763 2.308 . . . . 0.0 111.915 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.65 -17.46 39.25 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.858 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.43 133.06 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.538 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' B' ' 102' ' ' THR . 17.7 t -89.2 146.28 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -127.62 156.1 42.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.685 0.755 . . . . 0.0 112.562 -173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 5.4 mm-40 -102.43 121.34 42.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.757 171.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.56 146.33 18.08 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.366 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -142.37 135.48 28.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.924 0.392 . . . . 0.0 110.84 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.2 tm? -108.89 117.49 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.363 177.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.474 HG23 HG22 ' B' ' 96' ' ' VAL . 12.3 mt -106.61 115.03 47.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.9 p -94.8 115.43 27.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.982 0.42 . . . . 0.0 111.123 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.26 103.27 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.023 0.439 . . . . 0.0 110.125 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 161.44 14.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.733 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -65.47 -12.05 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.363 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -92.42 -3.34 55.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.057 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.53 8.74 86.62 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.094 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -81.2 117.38 21.68 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -106.37 119.19 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.23 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -110.87 124.7 52.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.474 HG22 HG23 ' B' ' 86' ' ' ILE . 39.3 t -111.34 106.82 21.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 -178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.052 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -90.88 146.96 23.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -143.24 158.21 43.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.424 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.75 131.15 55.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.69 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -155.7 167.66 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.943 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.433 ' HB ' HG13 ' B' ' 80' ' ' VAL . 9.9 t -159.01 145.67 17.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.564 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.93 93.46 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 172.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -96.51 136.26 37.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.852 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -110.86 -55.7 2.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.786 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.6 p -84.78 67.87 10.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.405 0.622 . . . . 0.0 111.17 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -94.74 71.53 3.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.169 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -136.43 75.14 52.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.636 0.731 . . . . 0.0 110.969 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.11 162.94 40.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.03 2.487 . . . . 0.0 111.748 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.7 41.56 4.11 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.2 t -60.96 -26.69 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.344 -0.428 . . . . 0.0 111.738 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -69.46 -40.91 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.2 m -87.73 -22.7 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.534 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -72.77 100.5 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -93.71 67.89 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.862 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -100.58 -84.9 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.894 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.7 m80 50.52 36.7 14.15 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.759 0.662 . . . . 0.0 111.086 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -114.09 136.46 52.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.213 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.978 179.346 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -120.98 120.18 34.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 58.86 29.03 18.28 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.817 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p -96.86 -50.87 4.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 m -91.76 108.3 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.89 89.96 3.95 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.685 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.18 -14.95 45.02 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.87 2.38 . . . . 0.0 113.41 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.443 ' HB3' ' NE2' ' B' ' 89' ' ' GLN . 15.3 m-20 -99.1 -6.82 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -110.06 140.18 22.1 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.389 -175.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 32.3 Cg_exo -59.66 120.35 8.12 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.518 2.145 . . . . 0.0 111.737 174.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HD2' ' O ' ' A' ' 28' ' ' SER . 86.3 Cg_exo -45.18 -67.77 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.586 2.857 . . . . 0.0 113.739 -172.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 26.3 t70 -140.0 115.65 7.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.82 -177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 5.7 Cg_exo -78.97 132.87 10.8 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.959 2.439 . . . . 0.0 111.447 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.3 p -109.23 143.04 39.21 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.033 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' B' ' 101' ' ' PHE . 55.4 t -102.92 110.66 30.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.528 174.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.65 162.07 22.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.245 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 17' ' ' GLN . 1.9 mp0 51.76 72.77 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.483 0.489 . . . . 0.0 111.977 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -87.75 121.64 38.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.047 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -102.08 -159.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.375 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.4 -52.53 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.425 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.55 32.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.462 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 15.6 p -147.05 149.47 33.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.69 0.281 . . . . 0.0 111.277 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.618 HD11 HD12 ' B' ' 72' ' ' ILE . 18.7 pt -131.84 164.59 34.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.423 HG11 ' HE ' ' A' ' 26' ' ' ARG . 39.7 t -112.43 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 169.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p -93.18 117.8 37.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HE ' HG11 ' A' ' 24' ' ' VAL . 82.0 mtt180 -122.84 143.69 49.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.413 -176.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 12.5 p90 -125.63 137.23 53.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.987 0.422 . . . . 0.0 110.921 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 14.9 m -85.95 137.25 32.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.279 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 mmm-85 -75.13 136.69 72.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.114 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 123.019 2.479 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mmm . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.809 0.338 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -165.46 68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.537 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.25 5.34 11.06 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.408 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 14.8 t -98.76 97.05 8.32 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -133.89 86.99 2.33 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . . . -121.6 102.38 42.11 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 36' ' ' ALA . 32.7 Cg_endo -64.53 139.41 64.2 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.618 2.212 . . . . 0.0 112.104 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -81.09 119.54 76.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.03 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.3 -21.85 40.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.969 2.446 . . . . 0.0 111.894 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -80.61 74.9 7.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.613 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -139.43 141.87 37.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.66 124.62 37.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.261 0.553 . . . . 0.0 110.448 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -74.13 -40.76 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.717 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -162.94 147.46 11.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.587 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 26.4 m-85 -103.46 136.55 43.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' B' ' 86' ' ' ILE . 2.1 mp -110.68 119.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 120.918 0.389 . . . . 0.0 109.959 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.426 HD23 HD23 ' B' ' 85' ' ' LEU . 0.4 OUTLIER -101.93 117.38 34.7 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.06 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.659 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 60.3 mtm180 -117.6 127.35 53.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.363 176.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.651 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 27.7 p90 -127.65 139.86 52.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.351 0.596 . . . . 0.0 111.256 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 4.7 tmm_? -137.87 130.78 16.64 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.186 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.487 ' HB2' ' HB2' ' B' ' 54' ' ' SER . 23.5 Cg_exo -61.3 117.01 3.77 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.321 2.014 . . . . 0.0 111.418 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.545 ' CB ' HG23 ' B' ' 80' ' ' VAL . 5.9 tmtp? -58.79 -40.85 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.096 -171.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.403 ' OD1' HG13 ' B' ' 79' ' ' VAL . 4.1 p-10 -87.55 -6.4 58.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.681 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' B' ' 51' ' ' PRO . 5.4 m -109.78 158.04 18.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.158 0.504 . . . . 0.0 110.839 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.93 30.95 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 122.138 0.97 . . . . 0.0 110.086 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.86 177.81 51.59 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.421 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' B' ' 57' ' ' ARG . 7.4 mpt_? -99.49 168.77 9.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.62 114.96 20.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.856 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.659 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 7.5 mtpm? -79.87 139.11 37.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -113.39 138.34 50.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.148 0.499 . . . . 0.0 111.753 -172.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.95 132.67 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.121 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 87.2 m -99.05 118.04 34.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.38 . . . . 0.0 110.68 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.9 mp -110.35 115.6 54.06 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.843 177.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -47.36 139.69 16.38 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 122.856 2.371 . . . . 0.0 111.999 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.587 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.93 52.88 2.52 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 116.035 -0.53 . . . . 0.0 114.277 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -163.17 15.23 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.55 -51.87 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.458 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 5.5 m-20 70.46 14.41 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.028 173.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 36.7 p -148.64 141.43 24.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.455 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . 0.475 ' HB2' HG12 ' B' ' 63' ' ' ILE . 70.9 t80 -143.72 134.43 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.565 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 46.3 m -92.41 99.57 12.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.096 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.618 HD12 HD11 ' A' ' 23' ' ' ILE . 34.1 mt -76.08 121.12 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.46 144.97 41.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.942 0.401 . . . . 0.0 110.727 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.28 8.69 46.51 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.994 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.67 124.55 28.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.852 0.358 . . . . 0.0 110.691 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -91.55 122.19 66.2 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.125 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.81 125.08 16.3 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.82 -21.99 30.94 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.528 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.403 HG13 ' OD1' ' B' ' 53' ' ' ASN . 86.1 t -98.56 117.58 43.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.545 HG23 ' CB ' ' B' ' 52' ' ' LYS . 27.0 m -80.64 132.93 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.231 0.538 . . . . 0.0 110.4 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' B' ' 100' ' ' ASP . 95.1 m-85 -114.11 149.77 35.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.598 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 13.4 mm-40 -101.44 123.81 46.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.85 127.94 8.05 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.469 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -116.15 114.24 24.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.426 HD23 HD23 ' B' ' 47' ' ' LEU . 3.3 tm? -94.91 112.22 23.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 10.6 mt -110.55 113.7 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 24.9 m -95.59 126.3 40.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 39.3 mm -105.84 121.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' A' ' 8' ' ' ASP . 79.6 mt-30 -96.33 170.93 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.618 175.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.61 -21.8 66.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.166 0.508 . . . . 0.0 110.31 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -73.47 -11.44 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.156 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.66 7.18 88.43 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.57 -174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -79.42 125.85 30.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -107.75 128.63 54.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' B' ' 86' ' ' ILE . 64.6 mm-40 -115.19 129.13 56.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.866 174.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.457 HG22 HG23 ' B' ' 86' ' ' ILE . 36.6 t -119.83 107.69 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 0.0 111.019 -175.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 22.7 m -92.76 111.54 23.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -86.92 132.06 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -157.53 -178.72 7.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.126 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 81' ' ' TYR . 6.8 p-10 -148.05 166.41 27.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.555 ' HB3' HG21 ' A' ' 15' ' ' VAL . 22.7 p90 -153.14 176.98 11.32 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -172.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 18.5 m 63.1 79.55 0.26 Allowed 'General case' 0 N--CA 1.458 -0.059 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.357 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 4.6 m 70.61 55.68 0.26 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.064 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 97.3 m -49.24 130.45 19.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.538 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 9.4 p -110.58 -65.55 1.15 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.662 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 28.3 m 61.48 105.61 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.51 0.672 . . . . 0.0 111.741 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -78.41 67.4 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.031 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.615 ' OG1' ' HD3' ' B' ' 109' ' ' PRO . 1.1 p -129.48 -50.19 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 175.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . 0.615 ' HD3' ' OG1' ' B' ' 108' ' ' THR . 40.3 Cg_exo -58.13 124.24 15.47 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.845 1.696 . . . . 0.0 111.861 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 -148.15 19.49 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.027 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.7 t -78.28 -66.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 56.08 59.97 3.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.027 0.442 . . . . 0.0 111.089 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 66.9 m -81.02 117.23 21.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.951 0.405 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -97.76 99.39 10.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.301 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' B' ' 116' ' ' HIS . 58.2 m80 63.6 60.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.385 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' B' ' 115' ' ' HIS . 11.1 m-70 70.89 106.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.669 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -147.52 -50.83 0.19 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.087 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -86.4 103.39 14.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.079 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.4 m80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.999 178.418 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t 72.86 130.28 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.193 0.597 . . . . 0.0 111.575 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -94.27 0.91 55.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.226 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -87.92 14.1 9.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.472 0.653 . . . . 0.0 110.149 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 t -64.87 -34.33 78.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.689 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -136.08 83.4 33.7 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.091 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.94 89.85 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.953 2.436 . . . . 0.0 111.96 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -91.26 -16.1 28.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.305 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.34 149.96 36.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 35.5 Cg_exo -61.79 138.08 72.11 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.794 2.329 . . . . 0.0 111.657 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 28' ' ' SER . 22.0 Cg_exo -65.22 -165.47 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.087 2.524 . . . . 0.0 112.815 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.7 118.06 9.31 Favored Pre-proline 0 N--CA 1.466 0.343 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.18 118.72 4.78 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.847 2.365 . . . . 0.0 110.255 167.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -98.06 133.93 41.85 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.041 0.448 . . . . 0.0 110.332 -174.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.22 110.53 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.836 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -105.64 121.65 44.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.689 ' NE2' ' H ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 111.047 -176.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.65 -12.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.054 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 13.0 t70 -149.51 -168.21 3.04 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' H ' ' CG ' ' A' ' 19' ' ' ASP . 5.9 m-20 -79.68 -53.03 7.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.151 0.5 . . . . 0.0 109.946 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 7.0 p -106.81 16.95 23.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.358 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 p -147.4 140.09 24.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.247 0.546 . . . . 0.0 111.724 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.535 HD11 HD12 ' B' ' 72' ' ' ILE . 21.9 pt -122.51 166.31 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.495 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.77 105.66 18.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 166.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -90.88 116.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.774 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -118.63 125.22 49.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 -176.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.487 ' NE1' ' HA ' ' B' ' 68' ' ' ASN . 31.3 p90 -111.11 143.29 42.07 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 15.4 m -74.99 145.03 42.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.536 177.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -70.1 132.94 87.99 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.87 0.367 . . . . 0.0 110.498 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.898 3.066 . . . . 0.0 112.106 178.807 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.547 0.213 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -132.13 88.39 2.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.705 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 88.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.709 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.3 m -121.82 82.79 2.0 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.952 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -77.22 119.81 21.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.99 104.83 45.58 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.739 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.78 53.89 4.26 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.825 2.35 . . . . 0.0 111.094 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -54.21 143.71 43.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.779 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.9 157.27 57.58 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 123.249 2.633 . . . . 0.0 112.826 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m 58.03 35.71 25.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.956 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -89.64 113.75 25.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.78 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.552 HG21 ' CE2' ' B' ' 45' ' ' TYR . 2.1 mp -83.93 123.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -80.02 -46.21 17.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.44 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -157.18 147.33 20.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 111.175 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' B' ' 42' ' ' ILE . 77.2 m-85 -105.34 131.04 53.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.193 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.415 HD12 ' N ' ' B' ' 46' ' ' ILE . 3.0 mp -105.78 117.8 52.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.5 OUTLIER -96.11 113.95 25.6 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 91.8 mtt180 -111.01 129.96 55.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.728 177.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 20.9 p90 -142.65 152.56 42.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.854 0.359 . . . . 0.0 110.624 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 6.8 ptt180 -161.53 159.48 23.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.388 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -62.1 130.37 30.49 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.182 1.921 . . . . 0.0 110.972 172.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.649 ' HB3' HG13 ' B' ' 80' ' ' VAL . 14.9 tmtt? -77.87 -15.55 58.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.342 -173.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -65.98 -27.91 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 110.81 -178.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -142.47 -168.72 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.538 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.556 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 2.6 p -96.48 -53.17 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.902 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 54.7 -120.35 16.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.435 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.478 ' CE3' ' HB3' ' B' ' 48' ' ' ARG . 81.6 m95 -83.63 117.52 23.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 97.2 mttt -76.05 129.36 36.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.529 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.4 mt-10 -119.06 132.62 56.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.911 0.386 . . . . 0.0 111.285 -173.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.14 129.7 51.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -102.68 112.09 24.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.118 0.485 . . . . 0.0 110.717 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.82 123.69 35.62 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.917 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.78 142.14 19.57 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 122.864 2.376 . . . . 0.0 111.909 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.537 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -73.94 50.26 1.87 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 113.965 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -166.75 26.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.642 0.258 . . . . 0.0 110.84 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.5 mt -120.0 -47.95 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.157 0.503 . . . . 0.0 110.16 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.487 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 72.2 m-20 66.25 25.92 10.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.159 171.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.5 p -156.87 138.37 13.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.888 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -141.17 143.17 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.783 0.325 . . . . 0.0 110.349 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 28.2 m -98.01 101.14 12.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.98 0.419 . . . . 0.0 110.398 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 23' ' ' ILE . 44.9 mt -82.51 116.29 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.002 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -107.27 129.68 54.85 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.185 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.11 25.02 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 21' ' ' THR . 58.5 mt -103.66 122.96 46.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 110.277 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -99.74 121.96 52.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.724 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.11 119.47 6.73 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.742 2.294 . . . . 0.0 111.682 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.61 -18.02 25.18 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.85 126.27 52.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.649 HG13 ' HB3' ' B' ' 52' ' ' LYS . 7.2 p -77.69 129.4 37.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.27 0.557 . . . . 0.0 111.275 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -124.35 147.53 48.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.095 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 10.5 mm-40 -102.42 130.75 49.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.149 175.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.25 146.81 18.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.411 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.505 ' HG3' ' HB2' ' B' ' 48' ' ' ARG . 7.9 pt20 -150.2 137.6 19.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.044 0.449 . . . . 0.0 110.908 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.2 tm? -105.54 107.62 18.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.378 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.464 HG23 HG22 ' B' ' 96' ' ' VAL . 4.0 mp -99.52 116.43 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.8 m -96.76 120.45 37.11 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.74 112.65 31.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -94.75 170.54 9.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.972 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.65 -39.71 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.758 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -72.46 -18.73 61.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.127 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.08 -2.11 65.66 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.189 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -69.82 120.56 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -92.25 121.06 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.685 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -115.49 121.58 43.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.917 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.464 HG22 HG23 ' B' ' 86' ' ' ILE . 44.0 t -113.81 123.27 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 0.0 111.248 -174.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 10.3 m -111.09 109.31 19.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.704 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -88.12 150.71 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.008 0.432 . . . . 0.0 111.601 -175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -150.2 176.56 10.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.758 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.98 142.84 34.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -129.09 144.24 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.069 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 29.1 m -151.32 -38.34 0.12 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.269 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 14.9 t -168.85 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.605 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m 56.05 67.27 1.03 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.818 0.818 . . . . 0.0 110.284 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -85.56 108.89 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.89 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.1 p -95.12 23.57 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.995 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 t 74.42 -49.73 0.67 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.449 0.7 . . . . 0.0 112.243 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' B' ' 109' ' ' PRO . 3.1 m -58.6 -53.33 67.28 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 108' ' ' THR . 39.6 Cg_endo -66.51 -9.69 25.08 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.149 1.899 . . . . 0.0 112.351 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -66.56 -17.7 67.05 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.737 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.2 m -81.97 35.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 51.9 52.38 14.6 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.585 0.707 . . . . 0.0 109.825 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.8 t -127.45 85.33 2.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.127 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -119.14 82.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -85.09 118.13 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.039 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -108.9 56.63 0.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.179 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -77.01 75.77 3.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.728 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -92.62 131.65 37.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.242 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 42.5 t60 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.932 0.77 . . . . 0.0 110.553 177.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -90.92 109.45 20.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.953 0.406 . . . . 0.0 110.494 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.535 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 52.7 mt-30 -79.98 -5.26 55.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 t -77.14 -23.14 51.7 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.836 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.4 p -109.58 5.0 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.224 0.535 . . . . 0.0 110.607 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.37 -46.71 4.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.355 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 3' ' ' GLN . 7.5 Cg_exo -73.45 129.51 13.89 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.92 1.747 . . . . 0.0 111.883 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -102.23 50.26 0.84 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.509 0.671 . . . . 0.0 109.91 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.71 133.66 46.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.593 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.77 133.94 61.21 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.572 2.181 . . . . 0.0 111.733 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -43.31 -59.78 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.42 2.747 . . . . 0.0 113.182 -174.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -156.96 114.9 1.99 Allowed Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.178 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.17 115.72 4.39 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.412 2.074 . . . . 0.0 110.712 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -105.45 142.53 35.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.09 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG21 ' CB ' ' B' ' 101' ' ' PHE . 69.1 t -96.42 120.36 45.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.699 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' OD2' ' HG3' ' A' ' 17' ' ' GLN . 27.9 t70 -127.99 142.12 51.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 -176.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' OD2' ' A' ' 16' ' ' ASP . 77.1 mt-30 60.75 85.99 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.836 0.71 . . . . 0.0 112.527 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.18 113.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.634 0.731 . . . . 0.0 110.223 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -87.28 -159.48 0.52 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.326 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.61 -46.88 83.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.617 0.246 . . . . 0.0 110.44 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 p -150.2 38.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.276 0.56 . . . . 0.0 109.9 175.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' B' ' 72' ' ' ILE . 14.8 m -144.59 157.4 44.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' B' ' 71' ' ' THR . 20.3 pt -135.41 161.82 38.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.73 104.34 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 168.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' B' ' 69' ' ' SER . 2.3 p -91.85 119.95 40.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -114.72 143.19 45.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.825 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.502 ' O ' ' HB3' ' B' ' 68' ' ' ASN . 48.5 p90 -149.48 151.84 34.62 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -111.97 130.38 55.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.441 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 155.47 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.746 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.533 2.155 . . . . 0.0 112.182 178.71 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.793 0.33 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -108.29 145.19 34.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.229 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.34 -133.79 2.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.78 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -79.61 -53.38 6.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.73 0.3 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -117.75 30.17 7.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 110.704 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . 51.16 68.78 3.02 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.664 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.93 99.97 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.717 2.278 . . . . 0.0 111.589 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' B' ' 39' ' ' PRO . 49.6 mt-30 -118.6 135.5 23.69 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.412 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' B' ' 91' ' ' TYR . 52.7 Cg_exo -56.68 -25.67 61.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.091 2.527 . . . . 0.0 111.963 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -70.79 86.4 0.68 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.948 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -164.16 89.02 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.396 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' B' ' 45' ' ' TYR . 3.2 mp -77.27 124.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.597 . . . . 0.0 110.514 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -79.98 -44.12 20.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.201 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -162.27 157.09 22.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.775 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' B' ' 42' ' ' ILE . 79.5 m-85 -114.37 133.81 55.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.07 121.06 60.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.09 115.01 28.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.084 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.514 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 98.2 mtt180 -112.59 132.6 55.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.015 176.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.602 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 34.9 p90 -141.43 149.82 41.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 178.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 55' ' ' VAL . 14.7 ptt180 -152.27 156.24 33.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.592 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.6 116.4 3.26 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.293 1.995 . . . . 0.0 111.221 173.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' B' ' 80' ' ' VAL . 14.7 tmtt? -68.02 -26.97 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -172.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -72.39 -11.26 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.59 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 44.9 m -139.37 -166.69 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.69 ' O ' ' HD2' ' B' ' 50' ' ' ARG . 14.8 p -91.02 -36.15 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 172.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.33 -143.74 21.2 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.285 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -138.36 137.81 37.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.453 ' CZ2' ' HD3' ' B' ' 50' ' ' ARG . 97.8 m95 -79.44 116.15 19.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.656 0.265 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 63.9 mttp -88.75 137.52 32.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 172.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.514 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 28.2 mt-10 -115.23 124.28 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.406 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.72 136.13 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.796 173.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -102.64 116.55 32.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.912 0.387 . . . . 0.0 110.541 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.6 mp -109.63 125.72 30.67 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.912 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.41 ' HD2' HD12 ' B' ' 67' ' ' LEU . 64.6 Cg_exo -52.14 138.01 54.13 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.506 2.137 . . . . 0.0 111.656 174.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.447 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.43 49.67 1.98 Allowed Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 113.545 -173.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -159.91 6.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.502 0.192 . . . . 0.0 111.204 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.41 HD12 ' HD2' ' B' ' 64' ' ' PRO . 60.4 mt -95.24 -48.5 5.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.605 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 18.3 m120 62.89 23.1 13.81 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.003 -0.999 . . . . 0.0 112.14 174.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.6 p -164.39 142.34 6.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.19 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . 0.411 ' HB2' HG12 ' B' ' 63' ' ' ILE . 66.4 t80 -145.23 142.48 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.782 0.325 . . . . 0.0 111.082 -176.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 23.2 m -95.43 99.26 11.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.022 175.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' A' ' 22' ' ' SER . 42.4 mt -77.47 111.96 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -104.29 121.07 42.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.928 0.394 . . . . 0.0 110.248 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.86 19.05 2.05 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.951 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.9 mt -101.65 129.63 47.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -88.12 121.22 70.65 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.513 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.55 122.35 11.35 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.861 2.374 . . . . 0.0 112.437 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.32 -12.93 51.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.112 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 86.9 t -94.14 129.6 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' B' ' 52' ' ' LYS . 7.1 p -76.91 130.44 36.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 0.0 110.466 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' B' ' 101' ' ' PHE . 87.3 m-85 -122.66 154.45 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.054 0.454 . . . . 0.0 111.33 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 13.4 mm-40 -102.8 124.54 48.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.023 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.4 143.78 17.73 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.289 -177.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -132.69 124.32 27.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -102.19 108.7 20.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.41 HG23 HG22 ' B' ' 96' ' ' VAL . 13.4 mt -100.94 106.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.305 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 5.6 p -87.7 112.97 22.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.097 0.475 . . . . 0.0 110.738 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -94.66 113.2 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.865 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -100.94 161.49 13.55 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -47.13 -43.81 21.05 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.891 0.745 . . . . 0.0 112.82 -172.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' ' 39' ' ' PRO . 41.0 m-85 -80.21 15.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.98 19.27 78.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.148 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.84 120.05 25.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -114.96 120.5 40.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.798 0.332 . . . . 0.0 110.305 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.96 116.82 31.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.192 176.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.41 HG22 HG23 ' B' ' 86' ' ' ILE . 44.1 t -97.22 106.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.799 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 7.0 m -93.01 108.87 20.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.59 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -88.67 132.71 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.145 0.498 . . . . 0.0 111.11 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -145.09 178.51 8.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.717 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -143.41 153.87 43.11 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.48 ' CB ' HG21 ' A' ' 15' ' ' VAL . 36.9 p90 -150.43 148.9 29.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.327 0.584 . . . . 0.0 111.694 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 5.1 m -155.15 -49.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.919 -1.037 . . . . 0.0 108.781 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 84.9 m -156.94 127.45 6.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.827 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 7.6 m -69.34 91.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.91 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -82.23 55.12 2.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.35 0.595 . . . . 0.0 111.605 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.7 t -91.53 142.22 27.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.718 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.5 m 57.02 63.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.163 0.506 . . . . 0.0 111.153 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.5 t -120.76 86.59 41.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.492 0.663 . . . . 0.0 110.609 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.53 69.52 6.74 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.859 2.373 . . . . 0.0 111.799 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.48 105.79 1.55 Allowed Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.19 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 16.7 m -70.93 89.83 0.79 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.804 0.335 . . . . 0.0 110.291 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -76.9 66.13 2.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.792 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.9 t -76.09 -23.13 54.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.98 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -87.0 56.38 3.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.185 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -123.53 79.6 1.71 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.588 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -105.62 63.84 0.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -81.15 71.5 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.281 0.562 . . . . 0.0 110.335 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -138.07 11.96 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.395 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.577 -0.725 . . . . 0.0 109.98 -178.595 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -71.37 -45.3 63.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -84.05 106.66 15.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -69.24 123.8 22.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.411 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.6 p -67.93 -29.46 68.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.145 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.05 105.97 31.56 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.67 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.13 -22.71 53.94 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.549 2.166 . . . . 0.0 112.933 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.04 -1.18 57.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.718 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -83.02 142.27 44.35 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.293 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 9' ' ' ALA . 13.0 Cg_exo -68.81 120.81 7.69 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.616 2.211 . . . . 0.0 111.064 173.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 42.9 Cg_exo -57.23 -40.03 85.63 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.064 2.509 . . . . 0.0 112.85 -177.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -158.06 115.54 1.8 Allowed Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.329 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.0 114.28 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.323 2.015 . . . . 0.0 110.882 170.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -107.03 141.06 38.84 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' B' ' 105' ' ' SER . 1.1 m -104.85 135.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-O 121.394 0.616 . . . . 0.0 111.114 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -122.41 176.64 5.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.694 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 15.9 mm-40 52.19 71.03 0.49 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.916 0.76 . . . . 0.0 112.223 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.1 m -82.16 116.55 26.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.453 0.644 . . . . 0.0 110.952 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -98.21 -159.82 0.76 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -37.05 80.3 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 118.487 0.585 . . . . 0.0 110.478 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 1.2 p -149.86 25.04 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.468 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.0 m -136.74 143.55 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.264 -0.272 . . . . 0.0 110.824 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.503 HD11 HD12 ' B' ' 72' ' ' ILE . 21.7 pt -130.24 162.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.25 104.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 1.4 p -89.74 120.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.176 0.512 . . . . 0.0 109.841 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -117.58 130.7 56.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.004 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -125.91 126.55 44.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.13 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -112.79 108.98 18.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.795 0.331 . . . . 0.0 110.201 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 3.6 ppt_? -93.64 152.82 41.11 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.125 175.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 29' ' ' ARG . 2.5 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.674 2.25 . . . . 0.0 111.999 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -75.8 -38.98 57.68 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.14 161.35 18.36 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 169.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m 56.25 62.5 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.268 0.556 . . . . 0.0 110.32 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -76.71 -8.56 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.787 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.85 72.48 81.92 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.658 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.15 90.32 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.266 1.977 . . . . 0.0 110.703 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.422 ' CG ' HE22 ' B' ' 90' ' ' GLN . 55.5 tp60 64.79 96.9 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.19 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.968 -170.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 141.37 54.03 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.408 2.739 . . . . 0.0 113.436 -173.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -76.89 107.66 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.865 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -117.12 155.66 28.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.346 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.544 HG21 ' CE2' ' B' ' 45' ' ' TYR . 2.5 mp -80.42 122.51 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.07 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.6 m -84.7 -37.21 21.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.033 -177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -157.67 145.91 19.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HA2' ' B' ' 65' ' ' GLY . 66.3 m-85 -106.0 132.99 51.42 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.43 117.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.498 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.6 OUTLIER -96.58 122.44 39.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.569 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 98.0 mtt180 -121.31 141.17 51.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.453 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.506 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 20.9 p90 -150.76 142.42 23.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 111.33 176.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 16.7 ptm180 -129.78 127.71 22.88 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.106 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 11.2 Cg_exo -70.52 127.47 14.03 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.652 2.235 . . . . 0.0 112.192 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -65.7 -16.48 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.329 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.544 HD22 ' N ' ' B' ' 53' ' ' ASN . 0.9 OUTLIER -90.85 5.32 48.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 90.2 p -121.34 -169.05 1.78 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.23 -36.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 110.859 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.41 32.69 1.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.789 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -80.85 140.99 35.08 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.884 0.373 . . . . 0.0 110.67 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -91.96 123.13 35.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.296 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 55.9 mttp -82.98 134.51 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 169.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.8 mt-10 -113.5 124.73 53.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 111.357 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.19 133.94 55.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.026 175.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -101.97 117.77 35.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.105 0.479 . . . . 0.0 110.785 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.451 HG12 ' HB2' ' B' ' 70' ' ' TYR . 4.9 mp -112.77 124.31 32.03 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.125 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.92 139.9 24.61 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.696 2.264 . . . . 0.0 112.101 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' B' ' 45' ' ' TYR . . . -74.15 50.14 1.93 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.751 -174.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -163.72 15.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.744 0.307 . . . . 0.0 110.955 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.9 mt -103.17 -45.39 4.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.243 0.544 . . . . 0.0 110.103 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 67.62 17.2 9.91 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.043 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.7 p -159.84 150.51 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.346 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . 0.451 ' HB2' HG12 ' B' ' 63' ' ' ILE . 69.8 t80 -144.16 140.42 29.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.561 177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 19.6 m -93.16 100.1 12.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.999 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.503 HD12 HD11 ' A' ' 23' ' ' ILE . 55.1 mt -80.24 109.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -100.78 124.27 46.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.305 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.7 24.49 2.82 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.507 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 21' ' ' THR . 40.2 mt -103.73 132.02 50.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 0.0 110.489 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -97.97 121.94 56.05 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.91 119.2 6.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.761 2.307 . . . . 0.0 111.697 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.13 -17.66 21.86 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.23 131.63 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -80.9 134.12 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -123.76 139.61 53.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.411 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 72.5 mm-40 -102.69 116.92 33.55 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.51 153.87 17.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 119.775 -1.203 . . . . 0.0 113.456 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 98' ' ' ARG . 72.2 mt-30 -141.17 141.13 34.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 122.589 0.356 . . . . 0.0 110.515 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' B' ' 45' ' ' TYR . 3.3 tm? -111.29 122.29 47.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.488 ' HA ' ' O ' ' B' ' 95' ' ' GLU . 9.8 mt -117.71 112.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.477 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.501 ' OG ' ' HB2' ' B' ' 95' ' ' GLU . 3.3 p -91.75 124.58 35.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.866 0.365 . . . . 0.0 110.748 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.2 mm -103.26 111.62 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.733 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.505 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 79.1 mt-30 -83.44 178.44 8.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.96 0.409 . . . . 0.0 112.092 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.422 HE22 ' CG ' ' B' ' 38' ' ' GLN . 29.5 tt0 -60.25 -43.44 96.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.811 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -94.0 16.14 15.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 0.0 111.364 -175.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.86 4.5 72.34 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.627 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.62 130.8 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' B' ' 87' ' ' SER . 73.9 mt-30 -120.33 124.79 46.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.501 ' HB2' ' OG ' ' B' ' 87' ' ' SER . 2.4 mp0 -108.34 133.07 53.05 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.423 HG22 HG23 ' B' ' 86' ' ' ILE . 58.0 t -119.63 114.87 45.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.863 0.363 . . . . 0.0 110.648 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 14.4 t -120.62 130.03 53.98 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 84' ' ' GLN . 34.6 mtm180 -100.71 156.04 17.56 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.831 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -142.07 163.93 31.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -123.37 137.98 54.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.4 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -150.45 143.63 24.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.49 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 10.8 t -159.64 -38.43 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.16 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 28.8 m -155.07 -47.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 106' ' ' THR . 26.5 m -67.31 130.86 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.254 175.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 20.6 m -77.49 -24.9 50.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 110.56 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.401 ' H ' HG22 ' B' ' 104' ' ' THR . 6.5 m -71.39 115.21 10.3 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.691 174.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 3.0 p -81.09 -20.4 41.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.83 153.16 77.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.689 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.92 6.34 5.37 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.99 2.46 . . . . 0.0 111.389 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.29 104.96 0.22 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p -61.56 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.013 0.435 . . . . 0.0 111.214 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -133.65 136.67 44.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.565 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 55.4 m -73.95 145.73 44.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.347 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 60.55 74.26 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.338 0.59 . . . . 0.0 109.859 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -67.69 134.75 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -73.14 2.08 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -71.19 -15.97 62.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.954 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -86.62 141.33 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.848 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.104 -178.35 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -159.93 52.61 0.34 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.2 12.16 28.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m 59.56 41.04 19.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.907 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -80.97 103.15 10.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.055 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 7' ' ' PRO . . . -69.2 -48.75 26.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.581 173.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 6' ' ' ALA . 71.7 Cg_endo -76.84 148.08 28.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.722 1.614 . . . . 0.0 111.491 171.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' HB2' HE21 ' B' ' 89' ' ' GLN . 14.4 m-20 -112.32 35.42 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.435 0.636 . . . . 0.0 109.811 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -95.06 134.95 23.91 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.977 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -56.29 121.82 10.68 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.856 2.371 . . . . 0.0 111.528 174.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 52.5 Cg_exo -53.92 -41.78 72.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.748 2.965 . . . . 0.0 113.678 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -154.77 129.46 4.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.749 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.614 ' HG2' ' CD2' ' B' ' 99' ' ' PHE . 4.5 Cg_exo -78.65 117.55 4.01 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.566 2.177 . . . . 0.0 110.874 168.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -98.98 120.91 40.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.956 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.8 t -95.33 115.47 34.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -117.06 168.52 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.133 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 53.77 60.55 3.59 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.704 0.628 . . . . 0.0 111.348 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -81.33 114.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.41 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -109.49 -154.02 0.53 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.12 -53.53 7.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.531 HG22 ' O ' ' B' ' 75' ' ' LEU . 8.5 p -123.53 17.56 9.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -174.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.9 p -149.22 143.32 25.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 111.648 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.671 HD11 HD12 ' B' ' 72' ' ' ILE . 10.1 pt -135.17 158.34 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.83 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.6 t -109.6 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 171.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.58 116.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.54 0.686 . . . . 0.0 110.089 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -109.34 157.24 19.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.308 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.497 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 44.4 p90 -147.17 137.77 23.55 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -76.5 109.76 10.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.555 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 6.9 ppt_? -88.19 156.67 51.48 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.224 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 C--O 1.252 1.207 0 C-N-CA 122.895 2.397 . . . . 0.0 111.806 176.285 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -101.32 135.49 42.72 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.04 153.17 25.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.56 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.1 m -84.83 148.2 26.42 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.899 0.381 . . . . 0.0 110.468 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -93.03 123.18 36.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.33 142.18 34.76 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.907 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.53 105.93 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.825 2.35 . . . . 0.0 111.688 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.99 137.55 92.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.907 -172.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.41 -5.87 17.84 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.938 2.425 . . . . 0.0 111.892 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.7 m -76.47 41.68 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.504 0.669 . . . . 0.0 110.564 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -142.99 85.18 1.86 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' B' ' 87' ' ' SER . 2.0 mp -77.07 137.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 -173.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -82.41 -35.66 27.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.294 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -166.55 150.01 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.544 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -109.49 136.5 48.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.17 122.04 67.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.021 0.438 . . . . 0.0 110.062 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.422 HD12 ' CE3' ' B' ' 49' ' ' TRP . 0.4 OUTLIER -96.99 116.76 29.78 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.62 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 95.5 mtt180 -112.72 137.71 50.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.342 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.473 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 31.3 p90 -148.79 146.62 28.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -141.67 145.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.671 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.46 116.15 3.6 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.569 2.179 . . . . 0.0 111.403 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.575 ' HB3' HG23 ' B' ' 80' ' ' VAL . 10.1 tmtt? -62.07 -38.92 90.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.899 -174.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.433 HD22 ' C ' ' B' ' 53' ' ' ASN . 0.4 OUTLIER -83.57 6.67 19.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.731 -176.018 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -134.41 164.9 26.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.424 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.4 ' O ' HG22 ' B' ' 55' ' ' VAL . 12.2 p -87.71 36.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 122.381 1.086 . . . . 0.0 109.555 176.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.23 160.35 53.45 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.663 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -102.71 158.03 16.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.824 0.345 . . . . 0.0 110.559 -175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -73.57 114.67 12.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 60.0 mttp -83.4 141.79 31.47 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 43.1 mt-10 -114.34 123.97 50.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.009 0.433 . . . . 0.0 111.223 -176.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.54 129.48 56.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.687 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 29.2 m -98.75 115.59 29.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.304 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.63 130.51 22.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.54 141.9 25.08 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.02 2.48 . . . . 0.0 112.396 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.62 47.65 2.14 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.188 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -156.73 22.09 0.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.285 0.564 . . . . 0.0 109.676 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -122.22 160.46 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.43 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.9 p-10 -133.44 17.68 4.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.02 0.438 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 35.4 t -152.42 136.98 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.949 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -135.31 144.22 46.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.949 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.1 m -104.71 116.46 32.07 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.671 HD12 HD11 ' A' ' 23' ' ' ILE . 24.9 mt -90.4 123.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -122.02 143.04 49.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.761 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.36 21.85 14.11 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.916 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.54 ' HB3' HG21 ' B' ' 103' ' ' THR . 95.9 mt -84.7 165.46 17.86 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -111.69 125.92 29.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.613 0.244 . . . . 0.0 110.828 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' B' ' 103' ' ' THR . 36.3 Cg_endo -65.83 124.19 12.38 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.795 2.33 . . . . 0.0 112.499 -176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.55 -16.99 51.43 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.625 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.11 126.03 42.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 52' ' ' LYS . 19.6 m -82.72 138.92 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -117.23 150.02 39.45 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.071 0.462 . . . . 0.0 111.776 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' B' ' 49' ' ' TRP . 32.2 mt-10 -103.36 126.56 50.58 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 48' ' ' ARG . . . -130.51 156.46 21.63 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.953 -176.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -141.09 129.38 22.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -96.52 109.1 21.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.479 HG23 HG22 ' B' ' 96' ' ' VAL . 24.5 mt -105.61 115.11 46.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.715 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.485 ' HB3' HG12 ' B' ' 42' ' ' ILE . 3.6 m -101.81 122.9 44.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.412 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 46.8 mm -96.23 114.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.425 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.486 ' OE1' ' HB2' ' B' ' 93' ' ' HIS . 74.4 mt-30 -83.04 172.99 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.61 0.243 . . . . 0.0 111.24 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.71 -41.1 81.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.113 0.482 . . . . 0.0 110.42 175.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -78.48 7.39 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.803 -176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.52 5.26 87.96 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.577 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . 0.486 ' HB2' ' OE1' ' B' ' 89' ' ' GLN . 54.7 m170 -69.35 136.77 52.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -106.04 119.27 38.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.918 0.389 . . . . 0.0 110.378 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.601 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 13.6 mm-40 -102.84 113.39 26.78 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 175.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.479 HG22 HG23 ' B' ' 86' ' ' ILE . 40.2 t -117.97 113.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.09 0.472 . . . . 0.0 111.743 -172.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 44.8 m -106.04 115.69 30.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.812 173.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 98' ' ' ARG . 39.8 mtm180 -86.74 150.57 24.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.376 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.614 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 15.3 p90 -160.08 177.83 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.157 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -136.72 157.98 45.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -158.07 154.0 26.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.616 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -127.83 118.87 24.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.487 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.54 HG21 ' HB3' ' B' ' 75' ' ' LEU . 8.9 t -92.82 122.81 35.59 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 9.0 t -177.35 146.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.739 -176.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -122.4 -15.68 7.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.401 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -77.88 -13.71 59.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 32.6 t -110.85 123.91 51.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 45.1 m -128.17 116.02 20.22 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.294 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.64 52.93 4.24 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.828 2.352 . . . . 0.0 113.028 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -89.38 91.61 1.73 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.819 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.6 t -76.22 103.22 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.318 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -147.77 44.77 1.1 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.348 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 9.3 p -60.01 -35.01 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -129.53 -54.21 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.996 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -140.07 147.49 40.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.612 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -159.28 117.44 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.599 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -156.11 178.84 9.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.744 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 66.18 40.3 3.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.383 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.036 177.693 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -91.71 -42.69 10.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.153 0.501 . . . . 0.0 109.933 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -107.22 117.26 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.6 m -88.29 124.26 33.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.951 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -72.74 -34.8 67.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 0.0 110.955 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.36 124.41 75.9 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.997 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.68 47.89 2.59 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.651 2.234 . . . . 0.0 111.592 175.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -76.43 -29.45 57.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.104 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.58 144.42 31.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.723 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.28 141.18 97.45 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.781 2.321 . . . . 0.0 111.593 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -49.67 -69.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.039 2.492 . . . . 0.0 112.569 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.1 p30 -169.95 138.82 1.52 Allowed Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.778 175.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' B' ' 99' ' ' PHE . 11.6 Cg_exo -73.59 115.02 4.19 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.093 1.862 . . . . 0.0 110.866 170.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -99.88 116.29 31.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HB ' HD12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.79 142.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 121.252 0.549 . . . . 0.0 111.117 -176.312 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -102.32 137.2 40.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.933 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -84.33 74.13 10.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.2 t -71.68 -57.1 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.439 ' HB2' ' OG ' ' A' ' 22' ' ' SER . 5.8 m-20 -118.4 -178.53 3.54 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.646 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.72 -49.4 25.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.584 0.231 . . . . 0.0 111.015 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.684 ' HA ' ' O ' ' B' ' 75' ' ' LEU . 2.6 p -106.5 19.62 20.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -175.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 19' ' ' ASP . 36.6 p -150.21 133.9 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 0.0 111.25 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.583 HD11 HD12 ' B' ' 72' ' ' ILE . 18.1 pt -117.11 158.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.651 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.43 106.13 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -98.69 115.5 39.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.143 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -123.21 142.11 51.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.54 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' O ' ' HB2' ' B' ' 68' ' ' ASN . 36.1 p90 -131.42 143.94 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.071 0.462 . . . . 0.0 110.881 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 m -86.15 116.26 24.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.913 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' C ' ' HD2' ' A' ' 29' ' ' ARG . 6.4 ppt_? -85.49 151.58 56.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.682 -177.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 122.934 2.422 . . . . 0.0 111.792 175.418 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' MET . . . . . 0.559 ' N ' ' HG ' ' B' ' 34' ' ' SER . 73.6 mtm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.649 0.262 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -88.76 79.7 7.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.35 73.13 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.56 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.559 ' HG ' ' N ' ' B' ' 31' ' ' MET . 8.3 p -156.78 71.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.969 -176.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -126.75 165.54 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.447 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.3 111.24 42.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -82.2 150.21 15.51 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.815 2.343 . . . . 0.0 112.67 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.438 ' HB3' ' ND1' ' B' ' 41' ' ' HIS . 15.6 mm100 -118.79 75.26 13.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.013 174.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.55 -66.14 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.258 3.305 . . . . 0.0 115.077 -167.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 49.1 m -111.34 97.61 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.113 0.482 . . . . 0.0 111.185 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.438 ' ND1' ' HB3' ' B' ' 38' ' ' GLN . 39.4 m80 -138.96 104.03 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.489 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.427 ' N ' HD12 ' B' ' 42' ' ' ILE . 3.1 mp -89.87 130.67 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.601 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -84.14 -33.4 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.874 -177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -163.39 146.47 10.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.678 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.35 127.55 53.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.437 HG22 ' HG3' ' B' ' 48' ' ' ARG . 3.5 mp -105.6 116.89 50.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.925 0.393 . . . . 0.0 110.047 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.62 112.68 24.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HG2' ' HG2' ' B' ' 60' ' ' GLU . 88.2 mtt180 -114.84 134.38 55.18 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.573 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' TRP . . . . . 0.487 ' HA ' ' O ' ' B' ' 82' ' ' GLU . 28.3 p90 -139.3 144.63 38.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.162 0.506 . . . . 0.0 110.906 177.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . 5.3 tmm_? -136.53 122.23 13.38 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.444 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 50' ' ' ARG . 17.7 Cg_exo -65.87 129.18 21.43 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.775 2.317 . . . . 0.0 112.049 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.537 ' HD3' ' CG ' ' B' ' 82' ' ' GLU . 7.3 mmmm -70.52 -25.73 63.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.526 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.57 5.18 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.466 . . . . 0.0 110.719 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 29.6 m -132.72 150.81 52.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.969 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 m -120.07 26.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.059 0.456 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.31 -118.42 1.45 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.176 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -115.6 158.91 21.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.017 0.437 . . . . 0.0 111.527 -173.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.435 ' CD2' ' HB2' ' B' ' 50' ' ' ARG . 36.2 m95 -80.95 139.59 35.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.032 175.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' B' ' 48' ' ' ARG . 66.7 mttm -95.58 137.27 34.87 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' B' ' 48' ' ' ARG . 34.2 mt-10 -117.46 141.17 48.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.444 -174.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.24 133.77 43.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.558 173.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -107.75 117.08 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.072 0.463 . . . . 0.0 110.993 -176.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.603 ' CG2' ' HB2' ' B' ' 67' ' ' LEU . 5.2 mp -109.6 132.18 21.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.13 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.16 144.82 36.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.166 2.577 . . . . 0.0 112.39 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.36 64.31 0.78 Allowed Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -169.56 -24.1 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 123.369 0.668 . . . . 0.0 109.411 -172.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.603 ' HB2' ' CG2' ' B' ' 63' ' ' ILE . 39.1 mt -103.99 140.03 38.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.598 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 26.9 p-10 -124.35 18.95 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.22 0.533 . . . . 0.0 110.563 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 33.7 t -141.61 133.06 26.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.262 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -140.17 136.6 33.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.015 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 42.8 m -100.18 105.29 16.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.147 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.583 HD12 HD11 ' A' ' 23' ' ' ILE . 51.3 mt -79.17 113.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -100.14 143.05 30.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.426 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.85 7.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 21' ' ' THR . 34.8 mt -103.78 136.2 43.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 0.0 110.398 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -81.43 126.01 77.36 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.73 124.21 11.65 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.636 2.224 . . . . 0.0 112.323 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . 0.488 ' H ' HG22 ' B' ' 102' ' ' THR . . . 105.75 -25.65 23.55 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.319 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.5 t -74.23 140.06 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 t -85.6 136.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.841 0.353 . . . . 0.0 110.209 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -125.33 144.99 50.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.896 0.379 . . . . 0.0 110.475 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.537 ' CG ' ' HD3' ' B' ' 52' ' ' LYS . 78.6 mm-40 -101.67 115.99 31.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' B' ' 48' ' ' ARG . . . -116.97 145.91 18.77 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.761 -175.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.448 ' HG2' ' HG2' ' B' ' 98' ' ' ARG . 45.5 mt-30 -136.27 128.6 30.12 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -100.1 104.95 16.53 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.44 HG13 HG13 ' B' ' 96' ' ' VAL . 4.0 mp -97.3 105.68 17.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -93.82 118.12 31.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.75 112.49 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 76.9 mt-30 -83.79 156.2 22.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.878 0.37 . . . . 0.0 110.625 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' B' ' 38' ' ' GLN . 13.0 pt20 -68.48 -9.84 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.614 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -92.67 -2.97 55.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.555 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.96 5.24 68.33 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.372 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 119.88 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.46 119.38 38.39 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -112.52 120.66 42.37 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 86' ' ' ILE . 41.9 t -115.52 108.68 25.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 -176.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . 0.431 HG21 ' HA ' ' A' ' 12' ' ' ASP . 79.7 m -97.22 116.52 29.57 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.345 176.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.448 ' HG2' ' HG2' ' B' ' 84' ' ' GLN . 57.4 mtt180 -89.75 139.97 30.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.78 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 17.2 p90 -155.63 -179.52 8.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.363 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -142.51 158.76 43.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -158.26 159.96 36.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . 0.488 HG22 ' H ' ' B' ' 78' ' ' GLY . 4.1 m 67.77 14.3 9.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.313 176.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 91.5 m -68.03 116.8 9.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.37 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.7 t -76.51 159.17 30.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 171.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 13.5 m 60.86 70.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -175.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 5.7 p -62.51 91.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.997 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' B' ' 108' ' ' THR . 47.5 m -80.67 -39.91 26.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.211 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' B' ' 107' ' ' SER . 9.3 t 176.88 126.93 0.18 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.508 176.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' B' ' 113' ' ' SER . 68.7 Cg_endo -76.37 -8.53 18.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.742 2.294 . . . . 0.0 112.337 174.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.38 -155.17 26.28 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.7 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.8 m -66.48 -19.3 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.734 0.302 . . . . 0.0 111.248 -176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -66.4 -16.69 64.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.35 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.425 ' HB3' ' HD2' ' B' ' 109' ' ' PRO . 23.1 t -124.72 92.33 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.401 . . . . 0.0 110.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -132.51 26.78 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' B' ' 116' ' ' HIS . 90.6 m-70 -104.64 -63.21 1.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' B' ' 115' ' ' HIS . 62.9 m80 71.83 152.46 0.12 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.654 0.74 . . . . 0.0 112.432 177.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -87.21 86.47 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.317 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -75.52 -24.3 56.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.245 0.847 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.245 175.199 . . . . . . . . 0 0 . 1 stop_ save_