data_1ieh_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 1ieh _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.609 HG21 ' HZ1' ' A' ' 98' ' ' LYS . 1.1 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.817 0.341 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 4' ' ' LEU . 1.9 tm0? -120.36 138.63 53.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.608 HD11 ' SG ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -127.24 166.11 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.26 133.93 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.759 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.496 ' HB3' ' SG ' ' A' ' 22' ' ' CYS . . . -121.47 150.56 41.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.047 0.451 . . . . 0.0 111.777 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.444 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -171.82 -178.21 2.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.764 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.55 30.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.804 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.416 ' H ' ' HG1' ' A' ' 111' ' ' THR . . . -64.63 142.33 45.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.01 -174.65 14.21 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.838 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -110.77 112.4 24.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.41 -178.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.975 0.417 . . . . 0.0 111.558 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -115.32 153.98 47.5 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.005 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.69 90.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.099 . . . . 0.0 112.36 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.46 4.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.85 -138.38 8.61 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 83' ' ' MET . 63.5 p -162.05 130.97 4.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD13 HG11 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -129.09 132.08 47.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.961 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' N ' HD23 ' A' ' 18' ' ' LEU . 25.3 ttt180 -104.73 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 HG12 ' HE1' ' A' ' 83' ' ' MET . 1.4 m -107.89 153.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.7 p -142.94 165.14 28.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 112.042 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 6' ' ' ALA . 43.0 t -144.33 111.29 5.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.906 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -85.57 109.87 18.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.266 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . . . -90.84 169.74 10.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.32 107.35 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.01 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.64 -25.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.904 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.477 ' HD1' ' N ' ' A' ' 28' ' ' THR . 6.6 p90 -152.31 -166.94 2.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 111.202 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.477 ' N ' ' HD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -115.14 143.87 44.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HB3' ' HD2' ' A' ' 72' ' ' ARG . 17.2 m-85 -70.29 -40.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.882 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.23 30.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 29' ' ' PHE . 29.4 t -150.71 -34.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.36 155.44 22.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.92 134.38 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 2.1 mmm -133.54 166.32 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.596 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -156.83 164.87 37.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 112.334 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.501 ' NE1' ' HG ' ' A' ' 79' ' ' LEU . 13.5 m95 -113.92 114.17 25.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.277 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 104' ' ' LEU . 4.6 m -104.96 165.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD11 ' A' ' 45' ' ' LEU . 2.1 ttp180 -144.16 151.59 39.74 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 111.042 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -142.98 105.55 4.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.453 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.544 HD11 ' O ' ' A' ' 38' ' ' ARG . 4.8 tp . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -142.41 133.68 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.627 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.564 ' CZ2' ' HB ' ' A' ' 50' ' ' THR . 15.7 t90 -76.96 108.94 10.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.53 ' O ' HG22 ' A' ' 64' ' ' VAL . 14.7 t -80.95 -53.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.809 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.615 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -142.18 153.08 43.76 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -138.76 134.47 33.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.333 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.13 142.22 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 0.0 111.423 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -107.29 134.22 20.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.7 137.53 16.23 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.48 -100.87 1.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.702 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.229 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.64 7.51 2.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.717 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.1 m -51.63 113.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.778 0.323 . . . . 0.0 110.522 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.22 144.99 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 112.073 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -134.69 140.82 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.838 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.513 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 15.9 m-85 -128.72 172.33 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.07 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.33 16.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER 75.55 -56.33 0.61 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.592 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -79.82 16.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.273 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 48' ' ' VAL . 4.4 m -145.23 1.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -56.44 -42.05 77.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 20.94 32.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.641 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 64' ' ' VAL . 2.2 tpp85 -112.4 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 77.9 m-85 -104.35 155.92 18.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 36.9 m -121.36 118.02 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.701 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 49' ' ' SER . 0.5 OUTLIER -100.74 118.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.481 0.658 . . . . 0.0 111.097 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -143.72 165.34 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.389 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.752 ' HD2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -161.51 170.38 20.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.247 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -100.51 139.9 35.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.838 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.68 2.23 17.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.57 69.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -167.64 -16.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.85 66.88 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -159.38 148.3 18.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.622 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 15.4 tp -121.66 114.31 20.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.394 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.537 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 30.1 m-85 -105.01 156.66 17.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.457 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.652 ' HA ' ' O ' ' A' ' 69' ' ' THR . 9.2 tp -148.47 139.49 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.364 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.659 ' HB3' HD22 ' A' ' 84' ' ' ASN . 3.1 tp60 -103.85 118.23 36.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.482 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 3.5 mtt -95.42 92.23 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.14 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.659 HD22 ' HB3' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -116.69 162.92 16.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.41 54.56 8.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.668 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.8 mm? -66.3 160.56 24.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.001 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.24 45.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m 61.62 9.7 2.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -99.52 -41.46 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -58.61 -23.68 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.63 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.524 HG22 ' HA ' ' A' ' 114' ' ' THR . 62.6 m -60.31 95.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.286 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -175.06 -163.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -112.48 126.09 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.231 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.29 146.95 30.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.277 0.56 . . . . 0.0 112.244 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.48 164.78 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.94 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.608 ' SG ' HD11 ' A' ' 4' ' ' LEU . 9.1 p -120.98 138.4 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' HD22 ' A' ' 104' ' ' LEU . . . -150.69 165.35 33.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.206 0.527 . . . . 0.0 111.986 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.609 ' HZ1' HG21 ' A' ' 2' ' ' VAL . 26.2 ttmt -88.37 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.036 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 130.13 35.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 m -143.49 57.79 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.2 -85.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 7.57 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.72 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.62 156.9 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -97.71 149.49 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.489 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -97.33 -32.03 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.618 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 63.43 111.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.914 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.528 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 2.1 m0 -126.61 4.44 6.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.375 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -69.79 174.61 35.85 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.667 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -77.33 -55.04 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.96 96.97 0.74 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.788 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.444 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 3.1 t -86.01 122.37 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.63 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -84.45 102.55 12.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.398 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG11 HD13 ' A' ' 18' ' ' LEU . 86.1 t -108.41 128.81 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.418 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.524 ' HA ' HG22 ' A' ' 91' ' ' THR . 13.2 m -135.74 150.78 49.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 0.0 112.028 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.524 ' N ' HG23 ' A' ' 114' ' ' THR . 22.6 t -124.89 128.51 73.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.721 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.76 139.86 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.235 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -117.48 158.6 24.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.67 112.66 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . . . -96.51 137.96 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.728 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 1.5 t -162.48 -176.31 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.8 1.51 52.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.67 153.17 41.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.264 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.39 -174.27 23.51 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.354 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 125.61 50.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.649 -0.276 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' CG1' ' HG ' ' A' ' 18' ' ' LEU . 3.8 m -124.84 -174.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 111.628 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.15 147.47 44.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.833 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.83 91.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.229 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.08 22.41 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.545 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.76 -134.77 7.69 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.644 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.74 130.11 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.517 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -128.03 158.33 38.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.495 ' HB2' HE21 ' A' ' 82' ' ' GLN . 0.0 OUTLIER -144.33 104.41 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.7 154.78 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.433 ' HB3' ' CD2' ' A' ' 80' ' ' TYR . 51.9 p -133.26 165.22 25.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.926 0.393 . . . . 0.0 111.807 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 78' ' ' THR . 12.6 t -135.6 116.34 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -88.91 114.62 25.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.269 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -112.51 170.54 8.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 t -172.6 111.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.36 14.88 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.07 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.06 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.903 0.351 . . . . 0.0 111.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.6 m 65.1 144.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.411 . . . . 0.0 111.403 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 3.5 m-85 -89.17 179.06 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.5 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 1.4 p 58.38 14.59 3.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -115.45 -25.48 7.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.54 -178.08 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -97.96 92.48 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.176 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.494 ' HE2' HD12 ' A' ' 4' ' ' LEU . 22.8 mmm -83.59 -178.01 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.765 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HB1' ' OG1' ' A' ' 50' ' ' THR . . . -165.55 155.31 12.68 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 10.8 m95 -105.6 116.78 32.53 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.802 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -101.93 165.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.689 -178.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.501 HH21 ' HG2' ' A' ' 46' ' ' GLU . 2.7 ttp180 -158.91 130.95 6.6 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 17.6 tt0 -116.78 116.46 27.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.103 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.888 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 46' ' ' GLU . 3.5 tt . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.475 0.655 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -150.0 120.51 7.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.185 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.628 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -49.43 -25.88 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.651 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.622 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 8.0 t 59.04 -75.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.485 ' OG ' ' HB ' ' A' ' 70' ' ' ILE . 83.4 p -144.56 153.54 41.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.503 ' CB ' ' HE1' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -133.55 143.87 48.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.648 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.1 tt -121.91 149.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.768 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.61 153.53 38.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.645 ' HA ' HH21 ' A' ' 72' ' ' ARG . 38.1 Cg_endo -65.85 135.7 42.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.42 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.66 34.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.1 73.9 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.794 0.331 . . . . 0.0 110.616 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.28 -144.34 10.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.753 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -65.05 -165.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.714 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.53 141.07 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 111.762 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.78 132.2 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.093 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CG ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-85 -116.42 179.47 3.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -79.3 13.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.698 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 71.41 -12.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.497 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -110.22 1.51 18.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.429 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -135.58 -1.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.062 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 7.0 tptp -46.82 -57.82 4.52 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.86 37.24 3.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.666 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.29 -65.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 14.9 m-85 -109.76 165.36 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.126 0.488 . . . . 0.0 111.534 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 52.9 m -124.2 117.46 24.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.221 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.648 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.31 110.85 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.331 0.586 . . . . 0.0 111.172 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.03 165.41 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.541 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.645 HH21 ' HA ' ' A' ' 53' ' ' PRO . 2.9 ptt180 -151.45 174.4 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.19 177.46 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.572 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 41.51 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.011 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.93 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.21 163.8 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.507 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 2.7 m-20 -95.35 90.69 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.722 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -162.65 163.2 27.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.407 0.622 . . . . 0.0 112.395 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 72' ' ' ARG . 13.9 tp -138.58 126.6 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 21.1 m-85 -116.03 152.24 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 111.988 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 69' ' ' THR . 4.4 tp -146.75 133.9 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.953 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.495 HE21 ' HB2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -104.52 119.08 38.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.5 ' HE1' HG22 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -84.9 100.66 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.48 163.38 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.7 38.03 29.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.8 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HA ' ' OD2' ' A' ' 90' ' ' ASP . 1.2 mp -61.51 143.57 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.648 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -135.3 -57.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.667 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 t -173.42 -20.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.648 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 7.4 tt0 -73.39 -39.39 65.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -51.21 -29.97 15.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.571 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 114' ' ' THR . 35.5 m -60.71 90.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.5 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.525 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -172.58 -171.06 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 7.7 t -97.52 149.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.645 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 38' ' ' ARG . 27.7 m-85 -124.16 126.41 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 111.999 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.509 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 22.5 m-85 -107.45 167.85 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.093 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 4' ' ' LEU . 1.7 p -137.62 138.39 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -164.48 165.94 20.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.51 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 5.1 ttmt -93.53 142.25 27.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.602 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -84.94 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -162.09 130.85 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.52 -9.93 60.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.14 9.17 42.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.431 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.97 137.97 22.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD2' HG23 ' A' ' 37' ' ' VAL . 11.1 tp -79.39 156.51 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.56 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -110.99 -34.2 6.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.467 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 67.61 96.74 0.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.921 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.56 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.2 m0 -113.77 2.72 15.26 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 153.12 40.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -65.6 -27.99 68.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.47 110.4 2.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.728 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -102.97 133.44 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.076 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -84.79 107.35 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.718 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.5 HG22 ' HE1' ' A' ' 83' ' ' MET . 81.2 t -112.36 137.76 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.288 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.688 HG21 ' N ' ' A' ' 115' ' ' VAL . 47.8 m -142.29 154.28 44.59 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.688 ' N ' HG21 ' A' ' 114' ' ' THR . 5.9 t -125.61 121.88 61.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.78 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -126.4 157.28 38.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.395 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.6 HD13 ' SG ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -132.43 174.97 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -178.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 117.35 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -109.92 139.69 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.331 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.571 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 3.9 t -168.33 -179.21 3.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.92 -8.3 33.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.24 172.12 22.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.47 39.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.937 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -97.9 117.92 33.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.751 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG22 ' HG ' ' A' ' 86' ' ' LEU . 8.3 m -117.65 -174.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -116.36 148.68 42.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.053 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.03 91.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.508 2.138 . . . . 0.0 112.478 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.66 18.28 4.46 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.806 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -139.69 8.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.62 126.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.17 132.5 43.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 111.428 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 19' ' ' ARG . 5.4 ttm180 -104.79 106.8 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.29 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG23 ' CH2' ' A' ' 36' ' ' TRP . 2.3 m -105.53 149.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.109 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 4.2 p -129.88 165.72 21.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.818 0.342 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' HB2' ' CH2' ' A' ' 36' ' ' TRP . 52.4 t -149.46 114.72 5.48 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.508 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.85 179.61 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.557 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -164.18 150.75 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.392 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.87 131.76 44.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.43 -33.44 2.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.64 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -150.96 -175.02 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 1.3 m -72.53 -116.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.507 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.648 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 0.3 OUTLIER -177.52 -54.9 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 1.1 m -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.472 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -50.25 -22.68 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -107.82 163.02 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.494 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -96.76 104.02 15.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.117 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.512 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 2.3 mmt -93.03 160.01 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.264 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.78 147.04 27.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.899 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.666 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 45.9 m95 -104.2 107.27 18.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.887 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.727 HG23 HD11 ' A' ' 45' ' ' LEU . 4.2 m -103.65 165.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.42 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.64 150.78 36.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.953 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.535 HE21 ' HB2' ' A' ' 45' ' ' LEU . 17.2 tt0 -126.37 113.7 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 37' ' ' VAL . 13.6 tp . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 121.117 0.484 . . . . 0.0 111.417 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.794 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 8.1 tp10 -114.19 139.17 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.684 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -65.49 -25.57 67.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.794 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 17.5 t 56.58 -77.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' TRP . 11.5 m -125.39 146.35 49.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.223 0.824 . . . . 0.0 113.223 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.469 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -142.16 134.07 27.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.807 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 tt -116.54 141.58 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.528 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -114.74 130.16 24.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.79 176.16 10.2 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.556 2.171 . . . . 0.0 112.665 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.14 -70.43 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.821 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -76.62 -76.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.65 0.262 . . . . 0.0 111.237 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.74 -5.1 4.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.055 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.5 m -59.71 -178.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.715 0.293 . . . . 0.0 110.69 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.02 157.99 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -136.13 121.91 19.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.294 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.543 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 28.4 m-85 -120.81 162.67 19.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -73.85 9.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.16 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 15.6 m-20 75.79 -43.5 0.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t -80.97 7.64 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.459 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.68 -8.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.87 128.3 35.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.167 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.32 -21.43 10.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.589 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.438 ' CZ ' ' HE2' ' A' ' 87' ' ' LYS . 8.0 tpp180 -79.06 -63.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 17.8 m-30 -111.79 152.54 27.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.167 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 37.2 m -118.29 118.3 31.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.202 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -101.02 124.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.62 -179.257 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -135.09 165.67 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.985 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 3.9 ttp180 -146.17 163.29 35.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.996 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.635 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 6.4 t70 -113.61 131.17 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -88.41 31.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.79 16.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.709 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.635 ' HG3' ' HB3' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -170.9 167.25 7.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -99.77 78.62 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -152.27 142.9 22.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.961 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.666 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -109.71 144.9 37.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.237 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -132.3 149.28 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.46 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.8 tp -153.18 135.12 14.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.078 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 6.9 tp-100 -103.57 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.463 ' HE2' ' CD1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -87.27 96.32 10.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.31 166.71 12.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.62 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.7 44.22 26.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.688 ' H ' HD21 ' A' ' 86' ' ' LEU . 1.3 mm? -60.86 146.68 45.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HD2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -158.38 51.21 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m 65.54 3.04 2.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HG3' HH12 ' A' ' 38' ' ' ARG . 0.3 OUTLIER -92.92 -36.99 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 110.189 179.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.433 ' CB ' HD11 ' A' ' 86' ' ' LEU . 4.5 t70 -66.9 -18.96 65.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.827 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 m -61.44 95.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.619 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . -177.34 -167.6 0.17 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.065 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 21.7 t -109.22 125.01 66.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.989 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 111' ' ' THR . 18.2 m-85 -104.78 141.36 36.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.466 0.65 . . . . 0.0 112.657 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -134.97 165.49 25.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.641 178.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.6 ' SG ' HD13 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -129.39 142.36 50.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.481 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -153.25 165.22 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.45 144.03 28.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.367 179.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.611 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.01 149.15 23.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.015 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -43.22 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.798 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.94 -79.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -133.34 3.38 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.638 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.91 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.615 0.245 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 106' ' ' ALA . 13.3 tp -110.48 158.24 18.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.058 0.456 . . . . 0.0 111.432 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.655 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -98.18 -11.99 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.233 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.489 ' H ' ' HG ' ' A' ' 104' ' ' LEU . . . 76.52 -56.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.655 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 48.8 m0 44.53 -151.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.649 0.261 . . . . 0.0 111.209 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.6 169.45 17.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.56 -39.24 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.092 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.37 93.45 2.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.946 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.571 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 8.4 t -86.12 127.44 34.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 110.4 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -84.85 108.86 17.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.529 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 133.13 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.439 ' HB ' ' HG ' ' A' ' 11' ' ' LEU . 2.5 m -139.63 154.87 47.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.449 . . . . 0.0 111.801 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.435 ' H ' HG21 ' A' ' 114' ' ' THR . 3.5 t -125.43 141.11 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.663 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 111.194 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.424 ' HB ' ' CZ3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.066 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 136.42 54.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.767 HD11 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -110.36 165.64 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.141 0.496 . . . . 0.0 111.894 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -143.41 87.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.981 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.502 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -84.79 138.62 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.059 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.77 165.68 14.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.469 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.98 26.78 3.42 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.29 124.55 6.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.671 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.99 -174.51 16.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.602 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.67 124.11 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG11 HD12 ' A' ' 18' ' ' LEU . 12.5 m -130.54 -174.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.528 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' H ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -114.34 155.19 46.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.744 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.91 92.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.325 2.017 . . . . 0.0 112.386 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 12.12 5.78 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.747 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 -135.44 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -164.88 134.52 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD12 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -133.93 146.75 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.728 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -124.81 109.39 13.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.61 159.09 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -139.97 165.23 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.566 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -143.56 111.08 5.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.604 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.88 132.4 33.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.358 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -135.44 170.59 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.18 137.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.56 2.08 6.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.799 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.9 -12.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.289 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.531 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 36.8 m 65.14 141.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 2.5 m-85 -83.16 -174.85 5.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.71 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.554 ' HG ' HH21 ' A' ' 72' ' ' ARG . 25.2 t 54.58 25.49 6.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.35 -28.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -116.0 162.62 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.501 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -84.91 139.81 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 28.5 mmm -137.95 175.25 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' HB3' ' OG1' ' A' ' 50' ' ' THR . . . -163.94 150.71 11.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.139 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.567 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 14.7 m95 -105.1 107.26 18.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.617 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 47' ' ' TRP . 3.6 m -101.95 164.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.999 0.428 . . . . 0.0 111.737 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.0 ttp180 -140.29 151.4 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.013 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 16.8 tt0 -133.32 113.73 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.666 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 37' ' ' VAL . 12.4 tp . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 121.204 0.526 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.2 tt0 -153.07 130.46 11.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.894 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.573 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -61.1 -27.6 68.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.567 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 2.5 t 56.57 -78.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.491 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 5.9 m -126.02 147.14 49.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.509 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -139.71 128.91 23.86 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.069 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 70' ' ' ILE . 2.9 tt -120.88 142.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.016 0.436 . . . . 0.0 111.575 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.619 HD22 ' H ' ' A' ' 57' ' ' SER . 34.8 p-10 -96.69 148.1 33.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.721 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.49 -73.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.547 2.164 . . . . 0.0 112.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.7 -174.04 44.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.092 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.95 -80.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.26 . . . . 0.0 111.27 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' H ' HD22 ' A' ' 52' ' ' ASN . . . 131.02 1.94 4.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.453 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.619 ' H ' HD22 ' A' ' 52' ' ' ASN . 3.0 t -53.41 118.19 3.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.731 0.3 . . . . 0.0 110.69 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.98 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.575 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -140.12 124.89 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.575 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 57.6 m-85 -125.23 164.89 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 13.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 76.0 -48.3 0.58 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.36 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -80.65 13.7 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.803 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HA ' ' HG3' ' A' ' 67' ' ' ARG . 12.5 m -139.08 14.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.561 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -76.9 -64.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.189 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.81 33.66 2.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -145.2 -55.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.704 0.288 . . . . 0.0 111.384 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.608 ' HA ' ' O ' ' A' ' 82' ' ' GLN . 20.7 m-30 -106.47 124.98 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 111.97 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.714 ' HB ' ' HB3' ' A' ' 82' ' ' GLN . 6.2 m -104.98 134.25 48.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.115 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -103.5 127.38 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.261 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 p -158.2 133.59 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.7 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.637 ' HD2' ' HD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -118.53 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.999 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -104.57 128.92 52.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 141.84 43.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.92 29.96 19.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -138.76 -155.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.934 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.531 ' OD1' ' HA ' ' A' ' 28' ' ' THR . 2.9 m120 -149.43 72.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -159.73 149.45 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.877 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 72' ' ' ARG . 23.8 tp -125.24 125.61 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.583 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -113.07 154.45 26.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.209 0.528 . . . . 0.0 112.099 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 69' ' ' THR . 2.2 tm? -135.47 141.59 45.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.663 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.714 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 14.8 tp60 -108.43 104.35 13.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.441 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.594 ' SD ' HG12 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -89.32 84.95 6.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.108 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -115.65 169.12 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.545 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.74 26.07 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.947 0.403 . . . . 0.0 110.455 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.22 148.43 14.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.161 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.559 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -159.61 61.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 63.9 1.99 1.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.559 ' HB3' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -98.38 -23.93 15.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.441 . . . . 0.0 110.317 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' OD2' HG11 ' A' ' 113' ' ' VAL . 2.6 t70 -80.53 -21.31 41.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.827 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.504 HG23 HG21 ' A' ' 114' ' ' THR . 27.1 m -59.21 90.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.378 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -178.49 179.03 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 18.5 t -88.45 145.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.227 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.56 ' O ' HG22 ' A' ' 111' ' ' THR . 20.5 m-85 -125.5 128.95 48.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 111.506 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.402 ' HE1' ' HB2' ' A' ' 39' ' ' GLN . 1.5 m-85 -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.87 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.767 ' O ' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.67 141.06 37.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.419 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 4' ' ' LEU . . . -161.67 167.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 3.9 tttt -83.15 139.23 33.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.805 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 144.93 29.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.221 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.87 -31.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.89 -94.64 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.84 -14.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.0 128.41 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.624 0.249 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 37' ' ' VAL . 11.8 tp -74.6 149.07 40.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.073 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.557 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -89.63 -35.43 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.871 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 63.29 89.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.073 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CE3' HD13 ' A' ' 4' ' ' LEU . 1.1 m0 -98.76 -16.9 18.76 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.171 0.51 . . . . 0.0 110.534 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.641 ' N ' HD12 ' A' ' 4' ' ' LEU . . . -52.85 170.97 0.56 Allowed Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.997 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -72.86 -36.5 67.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 111.395 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.16 109.61 3.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.602 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 94' ' ' TYR . 4.2 t -90.41 130.32 36.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -89.78 105.25 17.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.594 HG12 ' SD ' ' A' ' 83' ' ' MET . 96.2 t -107.84 138.44 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.504 HG21 HG23 ' A' ' 91' ' ' THR . 8.1 m -137.59 151.88 48.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.244 0.545 . . . . 0.0 112.224 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.457 ' H ' HG21 ' A' ' 114' ' ' THR . 4.9 t -126.25 109.65 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.366 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.22 141.02 52.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.133 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -114.61 177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.295 -178.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -142.57 121.07 12.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.622 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -101.68 133.22 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -132.59 161.62 33.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.181 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.27 -119.1 3.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.036 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.06 100.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.694 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.67 -175.51 17.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.88 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.52 107.7 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.48 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG22 ' HG ' ' A' ' 86' ' ' LEU . 2.9 m -123.13 164.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.222 0.534 . . . . 0.0 111.675 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 156.41 38.07 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.925 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.91 90.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.266 1.977 . . . . 0.0 112.256 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.68 -8.27 3.94 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.04 -131.18 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.582 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -175.03 149.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.81 149.62 47.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.556 ' HE ' HE22 ' A' ' 82' ' ' GLN . 17.6 ttm180 -128.63 104.73 7.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -105.82 161.81 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -140.02 165.36 27.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.34 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.446 ' C ' HG22 ' A' ' 78' ' ' THR . 37.2 t -154.77 105.22 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.62 107.32 16.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . . . -85.88 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.3 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -122.53 121.73 37.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.99 -48.47 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.606 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.402 ' HZ ' ' SD ' ' A' ' 34' ' ' MET . 44.9 p90 -132.52 -171.39 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -118.9 142.16 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.393 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' HD2' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -76.01 -169.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.293 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t 57.58 18.44 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -151.54 -22.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -107.51 -179.06 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -117.86 103.51 10.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.633 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.445 ' HE2' HD11 ' A' ' 4' ' ' LEU . 24.7 mmm -108.51 179.7 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.789 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -163.55 159.57 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.762 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.556 ' O ' HG23 ' A' ' 48' ' ' VAL . 18.0 m95 -104.46 139.93 38.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.537 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.643 ' HB ' HD12 ' A' ' 45' ' ' LEU . 4.4 m -127.25 165.44 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.215 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.695 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 15.0 ttp180 -143.27 149.26 37.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 11.0 tt0 -146.77 119.93 8.87 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.637 ' CB ' ' HB2' ' A' ' 92' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.176 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.643 HD12 ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.063 0.458 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.49 126.12 3.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.451 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.499 ' HA ' HG12 ' A' ' 37' ' ' VAL . 11.6 t90 -74.0 110.48 8.32 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.1 m -84.61 -58.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.4 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.677 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -130.83 155.87 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -139.08 133.63 31.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.834 178.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.73 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.8 tt -120.52 149.25 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.648 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.56 158.49 32.07 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.45 ' HB2' ' H ' ' A' ' 54' ' ' GLY . 67.1 Cg_exo -51.09 -83.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.822 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' H ' ' HB2' ' A' ' 53' ' ' PRO . . . -113.79 -0.93 24.35 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.92 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -56.41 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.02 -24.31 25.33 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.92 146.66 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.85 145.99 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.461 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -131.42 140.52 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.589 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 13.2 m-85 -126.36 169.52 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -74.5 12.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.317 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' TYR . 3.5 t70 74.7 -31.36 0.21 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.429 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 61' ' ' ALA . 46.2 m -96.57 9.82 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.554 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 48' ' ' VAL . 2.7 m -139.02 -3.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.277 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 5.8 tptp -59.5 123.03 15.51 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.58 -24.54 7.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.141 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 13.6 tpp180 -67.99 -55.53 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.128 0.49 . . . . 0.0 110.447 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 81' ' ' LEU . 21.7 m-30 -113.74 165.17 12.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.953 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.6 m -125.38 120.98 32.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.379 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.73 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -102.67 118.73 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.493 0.663 . . . . 0.0 111.269 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -151.43 159.06 44.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.255 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.64 169.0 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.83 144.06 26.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 10.6 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.75 2.59 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.82 157.86 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -83.63 74.51 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -138.45 152.81 48.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.614 -179.535 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 72' ' ' ARG . 19.4 tp -124.33 124.62 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.093 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -114.86 161.79 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.354 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -156.66 135.96 12.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.853 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.556 HE22 ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -104.37 110.9 23.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.313 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.628 ' HB3' HD13 ' A' ' 86' ' ' LEU . 2.0 mtt -84.01 101.81 12.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -101.34 166.62 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 t 70.47 -71.77 0.12 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.051 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.71 ' HG ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 61.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.28 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HG3' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -172.08 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.987 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.521 ' H ' ' HG3' ' A' ' 87' ' ' LYS . 20.6 m -151.07 -44.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.534 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 9.1 pt-20 -58.99 -30.52 68.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.221 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' HA ' ' HH ' ' A' ' 94' ' ' TYR . 32.5 t70 -62.94 -28.84 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 114' ' ' THR . 4.8 m -67.61 89.73 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB3' ' HG3' ' A' ' 38' ' ' ARG . . . -172.36 170.73 4.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 111' ' ' THR . 5.4 t -87.7 125.61 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.877 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.598 ' O ' HG22 ' A' ' 111' ' ' THR . 10.4 m-85 -104.6 150.0 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.119 0.485 . . . . 0.0 111.374 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.55 ' CE1' HD13 ' A' ' 45' ' ' LEU . 1.1 m-85 -142.46 161.94 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.489 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.634 ' O ' HD12 ' A' ' 4' ' ' LEU . 14.0 p -113.54 141.93 46.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.45 165.72 34.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.238 0.542 . . . . 0.0 112.347 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.607 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -91.58 152.39 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.858 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.607 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.55 115.31 22.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.422 . . . . 0.0 111.115 -179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -59.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.56 -81.22 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.58 10.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -130.21 -9.59 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 111.062 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HG ' ' H ' ' A' ' 105' ' ' ASP . 3.0 tp 61.52 171.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -115.5 -33.62 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.97 117.59 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.217 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -129.65 -134.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.822 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 74.41 177.36 37.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.984 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.622 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.57 -51.67 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 111.05 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.21 99.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.742 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 94' ' ' TYR . 9.0 t -97.51 120.77 38.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.942 0.401 . . . . 0.0 110.695 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.41 116.21 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.49 HG21 ' HE3' ' A' ' 83' ' ' MET . 87.9 t -108.62 118.21 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.09 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.424 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -116.97 148.67 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.275 0.56 . . . . 0.0 112.178 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 96.0 t -128.36 133.28 67.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.724 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.092 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.625 HG12 ' HA3' ' A' ' 26' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.968 0.414 . . . . 0.0 111.307 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.87 128.88 47.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -113.25 -176.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.373 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.634 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 32.2 tt0 -147.32 111.89 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.831 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.425 ' H ' ' N ' ' A' ' 109' ' ' GLN . . . -94.32 116.65 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.496 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -142.57 146.62 34.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.23 -5.74 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.473 ' HA3' ' HG1' ' A' ' 111' ' ' THR . . . -59.51 138.39 49.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.393 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 -174.14 13.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.477 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.33 109.69 20.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.535 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.846 HG22 HD23 ' A' ' 86' ' ' LEU . 2.3 m -121.75 -176.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 111.6 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -103.54 167.15 10.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.949 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.94 30.9 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.609 2.206 . . . . 0.0 112.72 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -173.14 31.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.364 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.29 -134.02 6.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 t -157.11 146.96 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.668 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HB3' ' SD ' ' A' ' 83' ' ' MET . 8.0 tp -142.55 149.49 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -129.74 108.08 9.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG12 ' SD ' ' A' ' 83' ' ' MET . 22.2 m -104.81 147.59 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.293 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 p -128.8 166.32 19.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 78' ' ' THR . 3.6 t -147.65 104.87 3.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.23 100.35 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.879 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.66 175.84 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.327 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.5 103.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.625 ' HA3' HG12 ' A' ' 2' ' ' VAL . . . 163.49 -37.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.404 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.42 -175.31 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.65 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -85.13 -106.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -173.81 -62.35 0.02 OUTLIER 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.75 0.309 . . . . 0.0 111.261 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.2 t -62.78 -10.29 12.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -17.79 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.72 169.79 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' HE2' HD21 ' A' ' 52' ' ' ASN . 28.6 m80 -111.0 95.78 5.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.486 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.53 ' SD ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -87.52 166.45 14.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 111.907 -178.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' HB1' ' OG1' ' A' ' 50' ' ' THR . . . -160.02 155.55 25.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.67 ' O ' HG23 ' A' ' 48' ' ' VAL . 23.0 m95 -104.98 148.19 26.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.684 HG12 ' HG ' ' A' ' 45' ' ' LEU . 1.1 t -123.3 165.41 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.574 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 25.7 ttp180 -157.49 137.69 12.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 31.2 tt0 -126.76 114.45 17.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.292 179.087 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.684 ' HG ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 121.217 0.532 . . . . 0.0 111.323 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.83 134.42 14.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.492 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 49' ' ' SER . 1.1 t90 -71.87 111.76 7.39 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -79.64 -56.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.5 ' C ' ' HE1' ' A' ' 47' ' ' TRP . 0.7 OUTLIER -131.59 154.49 48.81 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.478 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 1.1 m -138.81 141.65 38.72 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.352 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.572 ' HB ' HG21 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -117.64 140.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.027 0.442 . . . . 0.0 111.651 -179.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.463 HD21 ' HE2' ' A' ' 33' ' ' HIS . 10.1 t-20 -109.98 128.85 24.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.07 153.56 28.69 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.575 2.183 . . . . 0.0 112.636 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.74 -92.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.726 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.1 -44.23 83.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.76 40.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.124 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.86 158.61 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.18 142.1 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.967 0.413 . . . . 0.0 111.52 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.12 136.72 52.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.707 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 12.3 m-85 -127.03 172.42 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.036 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -75.52 16.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 60' ' ' TYR . 1.1 m-20 76.53 -51.11 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.634 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -83.83 14.48 3.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.652 0.263 . . . . 0.0 111.192 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.603 ' HA ' ' HB2' ' A' ' 67' ' ' ARG . 2.0 m -139.99 0.85 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.615 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.707 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -53.07 -52.4 58.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.353 . . . . 0.0 110.613 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.49 27.4 20.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.759 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.718 HH21 ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -111.39 -57.0 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 111.075 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HE1' ' HB3' ' A' ' 83' ' ' MET . 97.3 m-85 -116.55 165.31 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.546 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 m -126.77 125.86 42.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.288 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.572 HG21 ' HB ' ' A' ' 51' ' ' ILE . 1.6 tt -103.2 131.26 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.552 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.19 166.11 34.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.784 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 29.2 ptt180 -160.99 155.97 24.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -100.37 127.97 46.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.98 151.37 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.07 19.01 5.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -138.28 118.46 13.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.427 HD21 ' HA ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -78.3 70.21 4.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 1.5 m -156.09 118.56 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 112.089 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.53 HD13 ' SD ' ' A' ' 34' ' ' MET . 1.4 mt -85.82 143.6 28.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.719 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.404 ' HE1' ' HB ' ' A' ' 78' ' ' THR . 62.4 m-85 -133.18 130.53 39.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 69' ' ' THR . 7.4 tt -127.11 136.78 52.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.606 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.529 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 36.6 tp60 -103.75 104.9 14.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.553 ' SD ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.73 -179.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 161.61 15.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.33 43.72 31.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.717 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.846 HD23 HG22 ' A' ' 12' ' ' VAL . 2.1 mp -60.88 132.32 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.663 ' HG3' ' H ' ' A' ' 89' ' ' GLU . 14.2 ptpt -132.44 -166.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 t -62.21 -16.09 50.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.068 0.461 . . . . 0.0 110.389 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.718 ' HG2' HH21 ' A' ' 67' ' ' ARG . 4.2 tp10 -82.49 -39.63 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -28.41 21.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.9 m -63.95 90.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.432 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . -170.24 -179.49 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.275 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 38.8 t -97.44 145.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 111' ' ' THR . 22.4 m-85 -121.69 147.82 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 111.896 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.471 ' CE1' HD12 ' A' ' 45' ' ' LEU . 35.9 m-85 -134.72 167.41 20.89 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.731 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.552 ' O ' HD11 ' A' ' 4' ' ' LEU . 4.8 p -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.499 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.479 ' O ' HD11 ' A' ' 104' ' ' LEU . . . -165.25 165.93 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.141 0.496 . . . . 0.0 111.913 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.533 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.68 151.24 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.983 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.533 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.37 113.26 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 111.222 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.17 10.97 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.42 -61.29 0.57 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.238 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.68 118.89 2.87 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.369 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.62 159.63 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 97' ' ' ALA . 9.9 tp -98.85 156.52 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.038 0.447 . . . . 0.0 111.461 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.647 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 2.2 t0 -97.9 -30.76 12.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.082 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.34 108.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.899 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.647 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.3 m0 -125.74 -10.4 6.71 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 111.005 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.437 ' HA3' ' SG ' ' A' ' 96' ' ' CYS . . . -77.26 148.39 34.26 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.174 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.634 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 5.6 mm-40 -51.88 131.96 31.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.291 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.03 98.54 0.72 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.581 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.475 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.1 t -71.8 137.71 47.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -90.65 103.01 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.839 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.11 129.17 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.895 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.568 HG21 ' H ' ' A' ' 115' ' ' VAL . 1.4 m -133.71 162.3 32.33 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.568 ' H ' HG21 ' A' ' 114' ' ' THR . 3.5 t -131.44 108.73 15.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.814 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.472 HG21 HD23 ' A' ' 4' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.172 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.45 141.15 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.618 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.6 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -124.27 -174.59 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.734 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 0.7 OUTLIER -152.71 140.72 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . . . -125.37 164.64 19.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 111.741 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.537 ' HG ' ' H ' ' A' ' 8' ' ' GLY . 23.2 t -176.75 169.13 2.53 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.537 ' H ' ' HG ' ' A' ' 7' ' ' SER . . . 117.86 13.81 7.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.716 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 144.25 45.7 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.65 176.08 26.67 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.4 OUTLIER -108.9 106.57 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 86' ' ' LEU . 3.3 m -111.65 -178.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.59 41.31 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.17 82.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.493 2.129 . . . . 0.0 112.177 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.54 -21.61 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.161 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.52 -136.61 0.17 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.265 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -174.75 136.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -120.66 145.34 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.067 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 ttm-85 -122.81 107.54 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.541 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -103.69 168.45 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.0 111.439 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.534 ' N ' HG12 ' A' ' 20' ' ' VAL . 3.3 p -144.92 165.35 28.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.741 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 35.5 t -144.72 113.31 6.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.382 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.696 ' HA ' HG21 ' A' ' 78' ' ' THR . . . -92.59 104.82 17.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.096 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.6 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . . . -87.51 170.09 11.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.287 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -151.03 125.39 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.703 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.34 -66.55 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.169 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -110.53 178.4 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.627 0.251 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -72.57 -119.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.958 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -169.7 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.792 ' HA ' HH12 ' A' ' 72' ' ' ARG . 2.8 t -68.98 -18.33 64.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t -82.34 -27.69 32.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -112.75 -168.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.645 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.16 151.45 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.141 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.545 ' HB3' HD13 ' A' ' 79' ' ' LEU . 1.4 mmt -143.94 163.68 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.219 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -162.92 154.97 18.29 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.553 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.674 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 32.8 m95 -111.66 115.18 28.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.476 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.605 ' CG1' ' HA ' ' A' ' 47' ' ' TRP . 15.5 m -102.34 163.47 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.522 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 8.9 ttp180 -138.64 148.07 43.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.409 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 24.4 tt0 -138.21 105.27 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.57 HD21 ' HB ' ' A' ' 37' ' ' VAL . 2.8 tt . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 121.062 0.458 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -160.26 126.17 4.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.22 179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HA ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.2 -24.01 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.606 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.826 HG22 HG12 ' A' ' 64' ' ' VAL . 2.6 t 55.99 -76.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.584 ' N ' HG12 ' A' ' 48' ' ' VAL . 60.5 p -134.08 149.03 51.1 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.556 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -134.99 145.12 47.81 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.938 179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.689 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.7 tt -123.92 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 0.0 111.315 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -84.65 144.93 43.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' HH22 ' A' ' 72' ' ' ARG . 10.0 Cg_endo -51.61 121.74 9.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.686 2.257 . . . . 0.0 112.566 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' H ' HH22 ' A' ' 72' ' ' ARG . . . 94.42 20.25 30.28 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.55 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 53.97 64.28 1.89 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.01 -110.24 3.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.592 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -79.92 156.31 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.663 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.31 143.2 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.316 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -132.23 128.19 37.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.549 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.661 ' HH ' HG22 ' A' ' 70' ' ' ILE . 13.2 m-85 -118.91 165.97 13.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -78.81 14.01 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.496 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 73.04 -27.93 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -89.72 -10.22 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.778 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.826 HG12 HG22 ' A' ' 48' ' ' VAL . 35.5 m -124.59 13.01 4.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 13.1 tptt -84.55 121.92 28.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.5 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.35 -11.1 65.36 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.853 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' H ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -108.23 -49.32 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.96 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 16.2 m-30 -104.89 152.31 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.109 0.48 . . . . 0.0 111.59 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 87.4 m -123.75 119.15 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.491 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.99 120.3 52.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.52 166.41 33.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.341 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.792 HH12 ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -159.16 -178.68 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.429 -179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.72 179.43 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -125.29 14.74 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.44 51.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -8.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.319 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.99 73.37 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.696 HG21 ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -161.87 157.29 23.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 111.895 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.674 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -125.79 123.64 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.757 179.131 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 71.1 m-85 -118.44 125.83 50.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.611 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -125.54 138.24 53.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.538 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 18.4 tp60 -104.47 106.61 17.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 9.2 mtt -82.96 87.36 6.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -105.03 170.3 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.024 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.97 53.32 12.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 12' ' ' VAL . 1.6 mp -72.09 168.91 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.507 ' HE2' ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -162.32 -49.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.621 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.85 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' HG2' ' HE2' ' A' ' 87' ' ' LYS . 8.4 pt-20 -60.03 -17.61 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.202 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -74.25 -32.79 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 179.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.739 HG21 ' HA ' ' A' ' 114' ' ' THR . 3.1 m -63.79 92.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.853 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -172.39 -166.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.032 0.444 . . . . 0.0 111.489 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.32 126.96 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.746 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 22.3 m-85 -109.19 137.87 46.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -124.24 165.37 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.484 ' SG ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -130.02 143.01 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 4' ' ' LEU . . . -163.08 165.54 24.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.259 0.552 . . . . 0.0 112.208 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.436 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -87.33 141.13 28.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -83.86 171.43 13.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.21 -47.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -127.41 -83.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.54 -6.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.697 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.02 157.82 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.481 ' CD2' HG11 ' A' ' 37' ' ' VAL . 8.9 tp -98.45 154.54 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.707 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.9 OUTLIER -98.3 -35.58 10.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.233 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 67.17 111.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.707 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -132.07 -0.01 3.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -95.61 148.54 19.02 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.818 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.734 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -53.66 133.94 41.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.79 113.98 4.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.274 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 111' ' ' THR . 6.3 t -71.19 129.88 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.98 97.29 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 18' ' ' LEU . 50.2 t -104.7 124.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.739 ' HA ' HG21 ' A' ' 91' ' ' THR . 0.1 OUTLIER -124.38 160.69 27.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.749 -179.512 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.56 101.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.641 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.407 HG21 ' CZ3' ' A' ' 107' ' ' TRP . 33.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.873 0.368 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 144.35 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.566 HD11 ' SG ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -129.76 177.17 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.577 ' HB3' HE21 ' A' ' 109' ' ' GLN . 0.0 OUTLIER -145.12 121.7 11.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.537 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -100.04 145.77 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.466 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.658 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 12.3 t -169.1 179.27 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.635 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.12 -19.08 41.34 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.646 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.23 162.36 1.35 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.655 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.95 -173.77 37.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.859 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 114' ' ' THR . 15.4 mt -97.66 127.39 43.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 13' ' ' GLN . 1.9 m -112.42 -174.69 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.599 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -107.73 123.26 38.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.208 178.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.14 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.25 2.633 . . . . 0.0 113.231 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 15.15 9.59 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.359 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.61 -133.45 7.88 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.73 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -159.18 158.36 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.37 124.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.371 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.533 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . 2.3 ttt-85 -104.78 121.51 43.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG21 ' CH2' ' A' ' 36' ' ' TRP . 3.2 m -116.4 162.29 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 58.0 p -138.27 161.0 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.372 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 78' ' ' THR . 50.0 t -133.61 113.79 12.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.245 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -84.29 91.63 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . . . -93.23 175.51 6.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.695 ' HA ' HD21 ' A' ' 77' ' ' ASN . 0.5 OUTLIER 179.52 114.94 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.647 0.261 . . . . 0.0 111.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.88 0.42 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.755 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.64 -24.55 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.522 0.661 . . . . 0.0 112.393 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.493 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 5.0 m 61.8 161.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 111.56 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 31' ' ' SER . 1.3 m-85 -105.25 -160.05 0.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.752 ' HA ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER 66.62 -7.24 0.46 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.021 -179.677 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 29' ' ' PHE . 38.2 m -134.04 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.785 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.57 171.16 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.259 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.87 132.67 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.313 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.406 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 1.1 mmt -126.91 168.81 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -163.57 149.4 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.085 0.469 . . . . 0.0 112.139 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.59 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 20.6 m95 -104.18 109.29 21.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 47' ' ' TRP . 2.3 m -103.01 165.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 5.2 ttp180 -143.36 148.13 35.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.417 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 27.3 tt0 -136.03 113.33 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD11 HG21 ' A' ' 37' ' ' VAL . 2.6 tt . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 121.144 0.497 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -155.71 126.16 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.061 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.72 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.06 -26.6 16.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.799 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.636 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 23.6 t 58.52 -77.98 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.444 ' OG ' ' HB ' ' A' ' 70' ' ' ILE . 82.8 p -133.14 148.7 52.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.591 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -133.97 145.56 49.64 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.119 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 ' HB ' HG12 ' A' ' 70' ' ' ILE . 4.0 tt -121.72 141.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -88.49 143.73 32.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.226 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 76.4 Cg_exo -47.11 135.96 18.43 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.752 ' H ' ' HA ' ' A' ' 30' ' ' SER . . . 91.77 3.46 68.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.66 83.86 0.1 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.11 -90.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 140.83 49.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.714 0.292 . . . . 0.0 110.679 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.39 141.08 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 111.785 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.47 133.55 40.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.24 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.62 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 12.6 m-85 -120.27 167.04 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -72.62 12.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 60' ' ' TYR . 22.5 m-20 73.35 -24.57 0.2 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.537 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -98.89 -3.54 35.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.449 ' H ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -118.35 -1.67 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.275 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.62 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 20.8 mmmt -59.71 117.15 4.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.09 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -60.04 3.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.6 m-30 -116.66 165.08 13.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.659 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.4 m -127.2 120.73 29.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.552 HG12 ' HB ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -101.81 119.7 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.386 0.612 . . . . 0.0 111.174 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -151.08 165.69 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.026 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.751 ' HB3' HD13 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -160.71 177.73 10.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.919 0.39 . . . . 0.0 111.189 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.4 -32.24 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.36 -32.4 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -105.76 163.99 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.695 HD21 ' HA ' ' A' ' 25' ' ' SER . 5.4 m-20 -104.28 66.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.675 HG23 ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -140.95 143.98 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 112.028 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 72' ' ' ARG . 11.7 tp -107.33 142.14 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.48 ' N ' ' HE1' ' A' ' 36' ' ' TRP . 34.8 m-85 -128.03 154.51 45.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.166 0.507 . . . . 0.0 112.004 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.659 ' HA ' ' O ' ' A' ' 69' ' ' THR . 3.2 tp -153.1 133.86 13.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.718 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.533 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 37.5 tp60 -104.42 106.04 16.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.242 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.466 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 1.4 mtt -85.01 93.25 8.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.83 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.412 ' OD1' ' HB3' ' A' ' 17' ' ' SER . 3.3 m-20 -103.55 84.33 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.469 ' HG ' ' H ' ' A' ' 86' ' ' LEU . 3.5 p -176.39 -93.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 85' ' ' SER . 0.4 OUTLIER 53.07 94.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.186 0.517 . . . . 0.0 110.542 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.12 43.84 2.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.245 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 57.44 17.19 3.66 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.205 0.526 . . . . 0.0 110.212 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -121.52 -34.09 3.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.436 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.8 m 44.07 91.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.44 172.53 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.345 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 111' ' ' THR . 24.4 t -85.76 144.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.175 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 26.9 m-85 -124.37 138.82 54.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.11 0.481 . . . . 0.0 111.464 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.97 165.24 26.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.162 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -121.01 137.24 54.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 4' ' ' LEU . . . -145.92 160.98 41.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.158 0.504 . . . . 0.0 112.235 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.73 128.33 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.466 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.97 149.21 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.35 -59.2 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.12 -33.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.68 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.85 11.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.584 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.13 108.45 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.502 HD22 ' CG1' ' A' ' 37' ' ' VAL . 7.5 tp -69.34 165.09 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.578 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -108.41 -27.53 9.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.27 109.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.948 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.578 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 4.8 m0 -128.7 -128.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 70.12 176.26 18.11 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.577 HE21 ' HB3' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -85.84 -36.8 19.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.75 96.43 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.65 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 9.4 t -94.05 135.33 35.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.08 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -84.81 106.03 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.31 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.03 113.62 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.75 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 23.0 m -133.09 148.07 52.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.893 0.378 . . . . 0.0 111.423 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -107.67 103.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.03 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.8 160.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 96' ' ' CYS . 42.4 mt -151.77 155.01 37.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -152.11 93.52 1.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.598 ' N ' ' HG2' ' A' ' 109' ' ' GLN . . . -101.68 141.25 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.465 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -145.3 146.0 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.2 -0.97 2.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.641 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.81 94.13 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.917 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.08 -174.35 22.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.651 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 114' ' ' THR . 1.1 mm? -108.92 120.64 43.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.48 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.698 HG22 ' HG ' ' A' ' 86' ' ' LEU . 19.2 m -127.01 -178.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.292 0.568 . . . . 0.0 111.542 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.53 ' HG2' ' N ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.88 148.95 72.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.453 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.53 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 97.4 Cg_exo -45.76 94.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.482 2.121 . . . . 0.0 112.473 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.44 12.12 5.79 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.607 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.45 -143.04 10.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -164.54 112.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 83' ' ' MET . 31.7 tp -112.94 148.37 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -128.4 106.85 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 81' ' ' LEU . 11.0 m -103.91 147.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 p -124.78 165.62 17.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.019 0.437 . . . . 0.0 111.761 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -145.31 128.62 16.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.9 132.52 54.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.5 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 4' ' ' LEU . . . -136.18 175.34 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 m -162.81 125.04 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.29 -2.37 1.54 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.163 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.27 -13.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.863 0.331 . . . . 0.0 111.47 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m 65.65 144.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 111.58 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.521 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 3.2 m-85 -88.82 -176.31 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m 59.59 5.68 0.7 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.627 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 29' ' ' PHE . 2.9 m -126.74 -22.87 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.074 0.464 . . . . 0.0 110.235 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -117.23 -178.25 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.425 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -93.09 139.65 30.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.627 ' HB3' HD11 ' A' ' 79' ' ' LEU . 92.1 mmm -138.4 159.53 41.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -165.12 156.06 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.287 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.649 ' O ' HG22 ' A' ' 48' ' ' VAL . 29.2 m95 -106.5 143.0 35.25 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.642 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 104' ' ' LEU . 19.3 m -126.78 165.78 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.923 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.492 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.6 ttp180 -143.38 151.34 40.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.156 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -133.8 104.27 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.863 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 HD22 HG22 ' A' ' 37' ' ' VAL . 6.1 tp . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.27 130.82 7.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.467 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.3 t90 -81.01 110.18 16.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.0 m -79.45 -60.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.013 0.435 . . . . 0.0 111.716 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.598 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -129.97 152.48 49.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.303 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.56 151.47 50.14 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.06 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.742 ' HB ' HD11 ' A' ' 70' ' ' ILE . 1.6 tt -132.41 138.53 52.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.65 111.21 25.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.87 171.06 14.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.561 2.174 . . . . 0.0 112.248 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.46 3.81 90.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -161.48 -63.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.96 -3.99 9.81 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.275 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -58.07 133.53 55.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.806 0.336 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.02 136.15 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.499 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -125.45 134.34 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 4.8 m-85 -116.69 174.29 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.36 11.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.949 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 76.29 -42.54 0.44 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 16.9 7.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.592 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -139.34 -5.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.35 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.653 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -66.4 137.91 57.2 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.76 -0.88 48.76 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.069 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -99.09 -65.77 0.94 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.335 0.588 . . . . 0.0 110.235 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -104.73 160.42 14.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 22.8 m -121.8 114.07 20.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.742 HD11 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.35 121.26 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.689 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.2 t -158.58 158.0 33.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.667 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.67 174.42 10.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.89 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.98 156.41 18.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.21 29.01 17.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.521 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -86.76 82.1 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -151.74 142.09 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.186 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 34' ' ' MET . 0.7 OUTLIER -121.27 136.23 55.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.421 179.034 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -126.44 140.79 52.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 0.0 111.771 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.0 tp -132.83 130.03 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.37 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 34.7 tp60 -103.69 105.17 15.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.703 ' HE2' HG22 ' A' ' 113' ' ' VAL . 16.8 mtt -82.64 100.73 10.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 172.46 7.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 m 54.06 47.39 23.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.377 . . . . 0.0 110.763 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.746 ' H ' HD21 ' A' ' 86' ' ' LEU . 1.1 mm? -69.1 154.4 42.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.112 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.588 ' HG2' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -153.11 -48.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.005 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.588 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -175.46 -49.55 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.991 0.424 . . . . 0.0 111.013 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.04 -20.91 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.626 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.97 -32.93 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.743 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.788 HG22 ' HA ' ' A' ' 114' ' ' THR . 24.6 m -66.07 101.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.283 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . -178.62 178.9 0.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 111' ' ' THR . 8.5 t -90.49 133.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.836 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 111' ' ' THR . 27.6 m-85 -116.17 154.56 29.82 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.297 0.57 . . . . 0.0 112.384 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE2' ' HA2' ' A' ' 110' ' ' GLY . 3.6 m-85 -144.63 165.3 28.4 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.183 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.655 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.01 107.66 7.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.222 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' C ' HD11 ' A' ' 104' ' ' LEU . . . -125.61 169.6 12.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 111.962 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.3 OUTLIER -82.78 139.37 33.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.237 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 166.08 18.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.047 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -127.18 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.97 -21.16 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.809 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 173.14 29.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.833 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.7 142.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.669 0.271 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.494 ' CD2' HG12 ' A' ' 37' ' ' VAL . 10.1 tp -89.97 155.31 19.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.945 0.403 . . . . 0.0 111.229 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -101.64 -33.64 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.315 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 63.96 119.1 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.593 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 5.6 m0 -111.61 -85.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -103.35 -146.44 16.82 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.758 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.598 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 6.9 mt-30 76.75 -132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.239 0.616 . . . . 0.0 111.871 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 95' ' ' TYR . . . 110.29 55.62 0.53 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.9 t -84.17 130.47 34.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 111.345 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -93.08 108.6 20.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.703 HG22 ' HE2' ' A' ' 83' ' ' MET . 79.0 t -104.56 129.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.918 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.788 ' HA ' HG22 ' A' ' 91' ' ' THR . 26.3 m -134.55 145.14 48.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 112.208 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.27 112.24 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.59 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.967 0.413 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 138.62 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -110.51 161.01 16.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 111.492 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.675 ' HG3' HE21 ' A' ' 109' ' ' GLN . 42.3 tt0 -117.44 108.5 15.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.232 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 134.93 33.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.709 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -162.14 174.09 13.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.34 30.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.79 120.0 19.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.8 -174.37 13.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.746 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -114.48 128.35 56.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.642 HG12 ' N ' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -136.18 -173.18 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.69 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.642 ' N ' HG12 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -129.31 156.93 77.63 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.543 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 73.3 Cg_exo -49.21 106.14 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.383 2.055 . . . . 0.0 112.185 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.18 6.14 27.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.13 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' A' ' 12' ' ' VAL . . . -82.58 -148.65 7.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.625 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.92 112.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.801 0.334 . . . . 0.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -122.72 129.55 51.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HB2' HE22 ' A' ' 82' ' ' GLN . 2.3 ttm180 -104.61 116.71 32.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.69 149.63 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -122.39 164.36 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 0.0 111.535 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -147.96 104.52 3.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.69 166.0 16.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 4' ' ' LEU . . . -166.92 158.21 12.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 101.3 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.161 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.99 6.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.044 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CD1' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -167.88 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.896 0.348 . . . . 0.0 111.803 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 64.06 159.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' HE1' ' HB3' ' A' ' 24' ' ' ALA . 5.3 m-85 -100.52 -164.97 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB2' ' HA ' ' A' ' 74' ' ' ASN . 20.2 t 59.61 14.17 3.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.17 -37.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -106.7 157.2 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 5.1 m-70 -92.17 95.04 9.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.1 mmm -84.21 172.11 12.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.698 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.62 ' HB2' ' HG1' ' A' ' 50' ' ' THR . . . -150.51 153.96 36.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.613 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 12.1 m95 -104.29 108.86 20.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.319 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.706 HG11 ' HG ' ' A' ' 45' ' ' LEU . 1.4 t -100.7 166.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.458 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HG2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -149.51 152.4 35.52 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 112.144 -178.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 2.1 tt0 -138.3 128.24 25.45 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.802 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.118 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.706 ' HG ' HG11 ' A' ' 37' ' ' VAL . 1.2 tp . . . . . 0 CA--C 1.517 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.808 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.6 tt0 -129.66 122.02 28.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.111 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.524 ' O ' ' O ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -55.59 -28.16 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.157 -179.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.808 HG23 ' HG2' ' A' ' 46' ' ' GLU . 37.3 t 55.13 -77.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.443 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 29.5 m -131.05 155.16 47.36 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.62 ' HG1' ' HB2' ' A' ' 35' ' ' ALA . 1.2 m -146.63 136.19 23.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.887 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.485 HG12 ' NH1' ' A' ' 72' ' ' ARG . 1.6 tt -116.47 140.46 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 111.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -117.1 116.43 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.802 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.47 166.22 26.41 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.57 2.18 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.72 -77.35 1.05 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.652 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.81 -7.53 4.18 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.165 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.26 136.43 48.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.33 157.19 26.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.641 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -131.46 129.93 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.289 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.609 ' HB3' HG23 ' A' ' 64' ' ' VAL . 23.5 m-85 -126.6 158.92 35.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.295 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.61 20.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 60' ' ' TYR . 9.3 t70 75.9 -57.07 0.58 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.545 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.05 30.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -148.44 -11.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 7.9 tptt -54.42 -32.57 57.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.95 3.71 22.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.583 ' NE ' ' HE3' ' A' ' 87' ' ' LYS . 2.2 tpp180 -96.42 -65.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.402 . . . . 0.0 110.993 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.598 ' HD1' ' HA ' ' A' ' 83' ' ' MET . 67.3 m-85 -109.09 161.01 15.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.218 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 17.7 m -123.36 128.03 49.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.464 HG22 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -101.2 136.32 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.159 0.504 . . . . 0.0 110.582 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -147.22 161.76 40.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.485 ' NH1' HG12 ' A' ' 51' ' ' ILE . 1.4 ttp-105 -166.13 142.2 4.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' N ' ' HG2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -87.27 142.09 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.563 179.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.612 ' HA ' ' HB2' ' A' ' 30' ' ' SER . 0.1 OUTLIER -88.66 46.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.46 -69.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.319 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG2' ' HG1' ' A' ' 78' ' ' THR . 3.6 ttmt -79.64 146.15 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.77 84.5 4.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.48 ' HG1' ' HG2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -155.41 156.5 35.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.074 0.464 . . . . 0.0 111.759 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 72' ' ' ARG . 19.8 tp -131.28 126.16 34.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -120.22 150.02 41.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 111.766 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.502 HD22 ' HG3' ' A' ' 83' ' ' MET . 0.7 OUTLIER -140.35 142.61 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.241 178.676 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.462 HE22 ' HB2' ' A' ' 19' ' ' ARG . 8.7 tp60 -103.84 107.97 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.598 ' HA ' ' HD1' ' A' ' 68' ' ' PHE . 12.0 mtt -85.3 99.95 11.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -122.38 170.04 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.49 32.95 21.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.204 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 3.1 mp -61.93 127.01 29.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.64 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.617 ' HG2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -116.26 -44.87 2.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.617 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 2.1 t 177.93 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.325 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -22.94 67.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.003 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' HB2' HG11 ' A' ' 115' ' ' VAL . 1.3 m-20 -59.99 -45.62 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 m -46.69 99.25 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.025 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . 179.74 174.14 0.86 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.317 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 111' ' ' THR . 25.0 t -92.45 140.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.455 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 38' ' ' ARG . 39.9 m-85 -115.88 136.57 52.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 112.663 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 54.9 m-85 -115.82 168.99 9.56 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.848 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 4' ' ' LEU . 2.9 p -142.36 141.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.713 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -162.79 166.52 24.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 5.1 tttt -84.79 148.08 26.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.828 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -88.04 134.28 33.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.04 136.02 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.995 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.76 -7.34 55.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.28 -3.46 64.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.62 128.69 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.713 HD13 ' HB1' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -66.49 149.16 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.804 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.505 ' CB ' HD21 ' A' ' 45' ' ' LEU . . . 65.85 115.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.722 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -124.44 -130.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.025 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 68.42 176.37 11.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.73 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.675 HE21 ' HG3' ' A' ' 5' ' ' GLN . 16.3 mt-30 -95.92 -18.55 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.595 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.13 106.36 2.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.375 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 93' ' ' VAL . 10.6 t -93.93 132.25 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -84.76 104.07 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.51 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.473 HG11 ' SD ' ' A' ' 83' ' ' MET . 76.8 t -114.15 116.77 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.43 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -129.61 145.11 51.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 86' ' ' LEU . 1.9 p -120.62 104.31 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.052 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.437 ' HB2' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.207 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.609 HG21 ' HZ1' ' A' ' 98' ' ' LYS . 1.1 t -119.96 116.79 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.268 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 4' ' ' LEU . 1.9 tm0? -120.36 138.63 53.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD11 ' SG ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -127.24 166.11 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.26 133.93 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.759 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.496 ' HB3' ' SG ' ' A' ' 22' ' ' CYS . . . -121.47 150.56 41.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.047 0.451 . . . . 0.0 111.777 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.444 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -171.82 -178.21 2.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.764 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.55 30.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.804 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' H ' ' HG1' ' A' ' 111' ' ' THR . . . -64.63 142.33 45.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.01 -174.65 14.21 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.838 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -110.77 112.4 24.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.41 -178.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.975 0.417 . . . . 0.0 111.558 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -115.32 153.98 47.5 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.005 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.69 90.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.099 . . . . 0.0 112.36 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.46 4.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.85 -138.38 8.61 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 83' ' ' MET . 63.5 p -162.05 130.97 4.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD13 HG11 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -129.09 132.08 47.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.961 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' N ' HD23 ' A' ' 18' ' ' LEU . 25.3 ttt180 -104.73 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG12 ' HE1' ' A' ' 83' ' ' MET . 1.4 m -107.89 153.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.7 p -142.94 165.14 28.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 112.042 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 6' ' ' ALA . 43.0 t -144.33 111.29 5.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.906 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -85.57 109.87 18.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.266 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . . . -90.84 169.74 10.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.32 107.35 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.01 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.64 -25.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.904 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.477 ' HD1' ' N ' ' A' ' 28' ' ' THR . 6.6 p90 -152.31 -166.94 2.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 111.202 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.477 ' N ' ' HD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -115.14 143.87 44.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HB3' ' HD2' ' A' ' 72' ' ' ARG . 17.2 m-85 -70.29 -40.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.882 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.23 30.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 29' ' ' PHE . 29.4 t -150.71 -34.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.36 155.44 22.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.92 134.38 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 2.1 mmm -133.54 166.32 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.596 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -156.83 164.87 37.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 112.334 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.501 ' NE1' ' HG ' ' A' ' 79' ' ' LEU . 13.5 m95 -113.92 114.17 25.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.277 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 104' ' ' LEU . 4.6 m -104.96 165.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD11 ' A' ' 45' ' ' LEU . 2.1 ttp180 -144.16 151.59 39.74 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 111.042 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -142.98 105.55 4.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.453 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB2' ' HD3' ' A' ' 43' ' ' LYS . . . -74.21 168.8 23.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -31.8 93.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.849 2.366 . . . . 0.0 112.344 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . 93.41 -91.89 1.55 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HD3' ' HB2' ' A' ' 40' ' ' ALA . 2.0 tttt 41.38 -155.74 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.106 0.479 . . . . 0.0 112.168 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.61 29.98 1.16 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.566 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD11 ' O ' ' A' ' 38' ' ' ARG . 4.8 tp 66.55 142.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -142.41 133.68 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.627 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.564 ' CZ2' ' HB ' ' A' ' 50' ' ' THR . 15.7 t90 -76.96 108.94 10.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.53 ' O ' HG22 ' A' ' 64' ' ' VAL . 14.7 t -80.95 -53.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.809 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.615 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -142.18 153.08 43.76 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -138.76 134.47 33.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.333 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.13 142.22 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 0.0 111.423 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -107.29 134.22 20.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.7 137.53 16.23 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.48 -100.87 1.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.702 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.229 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.64 7.51 2.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.717 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.1 m -51.63 113.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.778 0.323 . . . . 0.0 110.522 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.22 144.99 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 112.073 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -134.69 140.82 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.838 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.513 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 15.9 m-85 -128.72 172.33 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.07 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.33 16.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER 75.55 -56.33 0.61 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.592 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -79.82 16.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.273 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 48' ' ' VAL . 4.4 m -145.23 1.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -56.44 -42.05 77.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 20.94 32.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.641 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 64' ' ' VAL . 2.2 tpp85 -112.4 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 77.9 m-85 -104.35 155.92 18.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 36.9 m -121.36 118.02 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.701 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 49' ' ' SER . 0.5 OUTLIER -100.74 118.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.481 0.658 . . . . 0.0 111.097 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -143.72 165.34 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.389 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.752 ' HD2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -161.51 170.38 20.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.247 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -100.51 139.9 35.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.838 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.68 2.23 17.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.57 69.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -167.64 -16.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.85 66.88 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -159.38 148.3 18.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.622 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 15.4 tp -121.66 114.31 20.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.394 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.537 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 30.1 m-85 -105.01 156.66 17.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.457 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.652 ' HA ' ' O ' ' A' ' 69' ' ' THR . 9.2 tp -148.47 139.49 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.364 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.659 ' HB3' HD22 ' A' ' 84' ' ' ASN . 3.1 tp60 -103.85 118.23 36.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.482 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 3.5 mtt -95.42 92.23 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.14 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.659 HD22 ' HB3' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -116.69 162.92 16.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.41 54.56 8.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.668 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.8 mm? -66.3 160.56 24.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.001 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.24 45.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m 61.62 9.7 2.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -99.52 -41.46 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -58.61 -23.68 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.63 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.524 HG22 ' HA ' ' A' ' 114' ' ' THR . 62.6 m -60.31 95.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.286 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -175.06 -163.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 t -112.48 126.09 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.231 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.29 146.95 30.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.277 0.56 . . . . 0.0 112.244 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.48 164.78 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.94 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.608 ' SG ' HD11 ' A' ' 4' ' ' LEU . 9.1 p -120.98 138.4 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' HD22 ' A' ' 104' ' ' LEU . . . -150.69 165.35 33.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.206 0.527 . . . . 0.0 111.986 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.609 ' HZ1' HG21 ' A' ' 2' ' ' VAL . 26.2 ttmt -88.37 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.036 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 130.13 35.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 m -143.49 57.79 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.2 -85.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 7.57 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.72 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.62 156.9 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -97.71 149.49 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.489 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -97.33 -32.03 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.618 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 63.43 111.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.914 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.528 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 2.1 m0 -126.61 4.44 6.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.375 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -69.79 174.61 35.85 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.667 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -77.33 -55.04 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.96 96.97 0.74 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.788 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.444 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 3.1 t -86.01 122.37 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.63 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -84.45 102.55 12.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.398 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG11 HD13 ' A' ' 18' ' ' LEU . 86.1 t -108.41 128.81 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.418 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.524 ' HA ' HG22 ' A' ' 91' ' ' THR . 13.2 m -135.74 150.78 49.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 0.0 112.028 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.524 ' N ' HG23 ' A' ' 114' ' ' THR . 22.6 t -124.89 128.51 73.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.721 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.12 -176.6 4.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.34 143.99 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 56.19 55.83 6.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -129.09 50.95 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -93.92 9.74 36.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 151.65 47.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.8 -13.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.33 111.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.518 HG13 ' H ' ' A' ' 126' ' ' GLU . 1.4 tp -131.38 -58.74 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.43 42.17 32.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.518 ' H ' HG13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -164.75 16.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.966 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.674 ' HG2' ' HG ' ' A' ' 129' ' ' LEU . 3.1 tt0 61.31 109.04 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.15 -28.8 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.283 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.674 ' HG ' ' HG2' ' A' ' 127' ' ' GLU . 19.5 mt 56.48 -147.24 0.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.566 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.403 ' H ' ' HB3' ' A' ' 129' ' ' LEU . 2.4 t30 -152.7 -59.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 111.073 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.42 29.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.94 9.18 23.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.41 ' HD1' ' HA ' ' A' ' 133' ' ' HIS . 0.0 OUTLIER -161.53 133.82 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 23.09 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.978 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.415 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.725 0.298 . . . . 0.0 111.262 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' H ' ' HB3' ' A' ' 1' ' ' ASP . 0.2 OUTLIER -50.82 124.16 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.76 139.86 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.235 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -117.48 158.6 24.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.67 112.66 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB3' ' SG ' ' A' ' 96' ' ' CYS . . . -96.51 137.96 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.728 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 1.5 t -162.48 -176.31 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.8 1.51 52.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.67 153.17 41.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.264 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.39 -174.27 23.51 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.354 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 125.61 50.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.649 -0.276 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' CG1' ' HG ' ' A' ' 18' ' ' LEU . 3.8 m -124.84 -174.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 111.628 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.15 147.47 44.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.833 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.83 91.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.229 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.08 22.41 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.545 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.76 -134.77 7.69 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.644 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.74 130.11 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.517 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -128.03 158.33 38.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' HB2' HE21 ' A' ' 82' ' ' GLN . 0.0 OUTLIER -144.33 104.41 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.7 154.78 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.433 ' HB3' ' CD2' ' A' ' 80' ' ' TYR . 51.9 p -133.26 165.22 25.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.926 0.393 . . . . 0.0 111.807 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 78' ' ' THR . 12.6 t -135.6 116.34 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -88.91 114.62 25.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.269 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -112.51 170.54 8.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 t -172.6 111.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.36 14.88 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.07 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.06 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.903 0.351 . . . . 0.0 111.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.6 m 65.1 144.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.411 . . . . 0.0 111.403 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 3.5 m-85 -89.17 179.06 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.5 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 1.4 p 58.38 14.59 3.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -115.45 -25.48 7.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.54 -178.08 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -97.96 92.48 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.176 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.494 ' HE2' HD12 ' A' ' 4' ' ' LEU . 22.8 mmm -83.59 -178.01 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.765 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HB1' ' OG1' ' A' ' 50' ' ' THR . . . -165.55 155.31 12.68 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 10.8 m95 -105.6 116.78 32.53 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.802 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -101.93 165.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.689 -178.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.501 HH21 ' HG2' ' A' ' 46' ' ' GLU . 2.7 ttp180 -158.91 130.95 6.6 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 17.6 tt0 -116.78 116.46 27.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.103 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . . . -77.57 152.94 81.17 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.888 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.95 -28.1 17.88 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.154 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.4 42.26 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.193 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.67 -172.08 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.14 54.02 0.79 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.28 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 46' ' ' GLU . 3.5 tt 64.66 153.38 0.06 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.475 0.655 . . . . 0.0 111.021 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -150.0 120.51 7.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.185 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.628 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -49.43 -25.88 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.651 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.622 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 8.0 t 59.04 -75.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.485 ' OG ' ' HB ' ' A' ' 70' ' ' ILE . 83.4 p -144.56 153.54 41.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.503 ' CB ' ' HE1' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -133.55 143.87 48.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.648 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.1 tt -121.91 149.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.768 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.61 153.53 38.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.645 ' HA ' HH21 ' A' ' 72' ' ' ARG . 38.1 Cg_endo -65.85 135.7 42.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.42 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.66 34.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.1 73.9 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.794 0.331 . . . . 0.0 110.616 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.28 -144.34 10.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.753 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -65.05 -165.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.714 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.53 141.07 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 111.762 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.78 132.2 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.093 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CG ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-85 -116.42 179.47 3.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -79.3 13.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.698 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 71.41 -12.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.497 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -110.22 1.51 18.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.429 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -135.58 -1.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.062 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 7.0 tptp -46.82 -57.82 4.52 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.86 37.24 3.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.666 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.29 -65.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 14.9 m-85 -109.76 165.36 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.126 0.488 . . . . 0.0 111.534 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 52.9 m -124.2 117.46 24.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.221 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.648 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.31 110.85 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.331 0.586 . . . . 0.0 111.172 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.03 165.41 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.541 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.645 HH21 ' HA ' ' A' ' 53' ' ' PRO . 2.9 ptt180 -151.45 174.4 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.19 177.46 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.572 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 41.51 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.011 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.93 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.21 163.8 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.507 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 2.7 m-20 -95.35 90.69 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.722 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -162.65 163.2 27.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.407 0.622 . . . . 0.0 112.395 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 72' ' ' ARG . 13.9 tp -138.58 126.6 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 21.1 m-85 -116.03 152.24 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 111.988 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 69' ' ' THR . 4.4 tp -146.75 133.9 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.953 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.495 HE21 ' HB2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -104.52 119.08 38.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.5 ' HE1' HG22 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -84.9 100.66 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.48 163.38 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.7 38.03 29.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.8 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HA ' ' OD2' ' A' ' 90' ' ' ASP . 1.2 mp -61.51 143.57 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.648 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -135.3 -57.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.667 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 t -173.42 -20.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.648 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 7.4 tt0 -73.39 -39.39 65.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -51.21 -29.97 15.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.571 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 114' ' ' THR . 35.5 m -60.71 90.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.5 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.525 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -172.58 -171.06 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 7.7 t -97.52 149.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.645 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 38' ' ' ARG . 27.7 m-85 -124.16 126.41 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 111.999 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.509 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 22.5 m-85 -107.45 167.85 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.093 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 4' ' ' LEU . 1.7 p -137.62 138.39 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -164.48 165.94 20.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.51 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 5.1 ttmt -93.53 142.25 27.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.602 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -84.94 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -162.09 130.85 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.52 -9.93 60.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.14 9.17 42.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.431 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.97 137.97 22.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD2' HG23 ' A' ' 37' ' ' VAL . 11.1 tp -79.39 156.51 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.56 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -110.99 -34.2 6.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.467 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 67.61 96.74 0.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.921 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.56 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.2 m0 -113.77 2.72 15.26 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 153.12 40.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -65.6 -27.99 68.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.47 110.4 2.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.728 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -102.97 133.44 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.076 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -84.79 107.35 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.718 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.5 HG22 ' HE1' ' A' ' 83' ' ' MET . 81.2 t -112.36 137.76 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.288 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.688 HG21 ' N ' ' A' ' 115' ' ' VAL . 47.8 m -142.29 154.28 44.59 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.688 ' N ' HG21 ' A' ' 114' ' ' THR . 5.9 t -125.61 121.88 61.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.78 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -159.7 -117.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.466 ' H ' ' HB3' ' A' ' 116' ' ' SER . 23.7 t 69.62 -13.75 0.38 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 116' ' ' SER . 1.3 pt20 -168.05 166.87 12.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.0 t -66.33 155.78 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 120' ' ' GLU . 5.3 pt-20 -91.62 97.81 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 -176.63 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -90.0 48.53 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 140.51 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 18.4 pt -79.29 8.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 p 57.83 -177.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 55.66 -93.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -115.33 128.19 55.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.803 0.335 . . . . 0.0 110.779 179.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.59 32.91 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.447 ' H ' ' HG3' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -150.44 -165.75 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.896 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' H ' ' HB3' ' A' ' 129' ' ' LEU . 33.6 m120 -107.8 -173.07 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -93.85 121.92 35.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.36 135.37 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.61 -178.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.403 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.4 85.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.888 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -80.86 154.67 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -126.4 157.28 38.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.395 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.6 HD13 ' SG ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -132.43 174.97 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -178.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 117.35 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -109.92 139.69 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.331 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.571 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 3.9 t -168.33 -179.21 3.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.92 -8.3 33.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.24 172.12 22.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.47 39.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.937 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -97.9 117.92 33.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.751 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG22 ' HG ' ' A' ' 86' ' ' LEU . 8.3 m -117.65 -174.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -116.36 148.68 42.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.053 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.03 91.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.508 2.138 . . . . 0.0 112.478 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.66 18.28 4.46 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.806 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -139.69 8.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.378 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.62 126.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.17 132.5 43.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 111.428 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 19' ' ' ARG . 5.4 ttm180 -104.79 106.8 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.29 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG23 ' CH2' ' A' ' 36' ' ' TRP . 2.3 m -105.53 149.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.109 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 4.2 p -129.88 165.72 21.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.818 0.342 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.445 ' HB2' ' CH2' ' A' ' 36' ' ' TRP . 52.4 t -149.46 114.72 5.48 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.508 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.85 179.61 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.557 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -164.18 150.75 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.392 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.87 131.76 44.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.43 -33.44 2.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.64 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -150.96 -175.02 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 1.3 m -72.53 -116.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.507 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.648 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 0.3 OUTLIER -177.52 -54.9 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 1.1 m -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.472 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -50.25 -22.68 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -107.82 163.02 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.494 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -96.76 104.02 15.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.117 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.512 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 2.3 mmt -93.03 160.01 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.264 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.78 147.04 27.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.899 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.666 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 45.9 m95 -104.2 107.27 18.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.887 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.727 HG23 HD11 ' A' ' 45' ' ' LEU . 4.2 m -103.65 165.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.42 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.64 150.78 36.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.953 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.535 HE21 ' HB2' ' A' ' 45' ' ' LEU . 17.2 tt0 -126.37 113.7 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.51 152.66 43.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.88 97.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.559 2.173 . . . . 0.0 112.381 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.64 36.2 6.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -119.5 -176.07 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.732 0.301 . . . . 0.0 111.089 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.3 18.63 13.67 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.721 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 37' ' ' VAL . 13.6 tp 65.72 124.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.117 0.484 . . . . 0.0 111.417 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.794 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 8.1 tp10 -114.19 139.17 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.684 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -65.49 -25.57 67.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.794 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 17.5 t 56.58 -77.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' TRP . 11.5 m -125.39 146.35 49.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.223 0.824 . . . . 0.0 113.223 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.469 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -142.16 134.07 27.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.807 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 tt -116.54 141.58 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.528 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -114.74 130.16 24.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.79 176.16 10.2 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.556 2.171 . . . . 0.0 112.665 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.14 -70.43 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.821 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -76.62 -76.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.65 0.262 . . . . 0.0 111.237 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.74 -5.1 4.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.055 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.5 m -59.71 -178.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.715 0.293 . . . . 0.0 110.69 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.02 157.99 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -136.13 121.91 19.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.294 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 28.4 m-85 -120.81 162.67 19.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -73.85 9.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.16 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 15.6 m-20 75.79 -43.5 0.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t -80.97 7.64 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.459 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.68 -8.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.87 128.3 35.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.167 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.32 -21.43 10.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.589 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.438 ' CZ ' ' HE2' ' A' ' 87' ' ' LYS . 8.0 tpp180 -79.06 -63.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 17.8 m-30 -111.79 152.54 27.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.167 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 37.2 m -118.29 118.3 31.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.202 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -101.02 124.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.62 -179.257 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -135.09 165.67 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.985 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 3.9 ttp180 -146.17 163.29 35.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.996 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.635 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 6.4 t70 -113.61 131.17 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -88.41 31.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.79 16.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.709 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.635 ' HG3' ' HB3' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -170.9 167.25 7.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -99.77 78.62 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -152.27 142.9 22.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.961 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.666 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -109.71 144.9 37.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.237 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -132.3 149.28 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.46 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.8 tp -153.18 135.12 14.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.078 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 6.9 tp-100 -103.57 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.463 ' HE2' ' CD1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -87.27 96.32 10.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.31 166.71 12.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.62 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.7 44.22 26.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.688 ' H ' HD21 ' A' ' 86' ' ' LEU . 1.3 mm? -60.86 146.68 45.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HD2' ' CB ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -158.38 51.21 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m 65.54 3.04 2.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HG3' HH12 ' A' ' 38' ' ' ARG . 0.3 OUTLIER -92.92 -36.99 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 110.189 179.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.433 ' CB ' HD11 ' A' ' 86' ' ' LEU . 4.5 t70 -66.9 -18.96 65.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.827 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 m -61.44 95.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.619 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . -177.34 -167.6 0.17 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.065 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 21.7 t -109.22 125.01 66.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.989 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 111' ' ' THR . 18.2 m-85 -104.78 141.36 36.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.466 0.65 . . . . 0.0 112.657 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -134.97 165.49 25.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.641 178.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.6 ' SG ' HD13 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -129.39 142.36 50.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.481 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -153.25 165.22 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.45 144.03 28.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.367 179.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.611 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.01 149.15 23.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.015 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -43.22 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.798 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.94 -79.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -133.34 3.38 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.638 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.91 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.615 0.245 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 106' ' ' ALA . 13.3 tp -110.48 158.24 18.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.058 0.456 . . . . 0.0 111.432 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.655 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -98.18 -11.99 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.233 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.489 ' H ' ' HG ' ' A' ' 104' ' ' LEU . . . 76.52 -56.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.655 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 48.8 m0 44.53 -151.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.649 0.261 . . . . 0.0 111.209 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.6 169.45 17.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.56 -39.24 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.092 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.37 93.45 2.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.946 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.571 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 8.4 t -86.12 127.44 34.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 110.4 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -84.85 108.86 17.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.529 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 133.13 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.439 ' HB ' ' HG ' ' A' ' 11' ' ' LEU . 2.5 m -139.63 154.87 47.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.449 . . . . 0.0 111.801 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.435 ' H ' HG21 ' A' ' 114' ' ' THR . 3.5 t -125.43 141.11 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.663 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p -159.49 151.38 20.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 111.194 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.2 109.96 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.593 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 63.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.59 62.94 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.71 21.69 9.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.793 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -140.82 124.45 16.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.0 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.39 175.39 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.06 70.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 15.1 mt 54.8 86.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.1 t -94.62 -43.07 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.56 63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -132.39 -45.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.0 13.64 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.459 ' HB3' ' H ' ' A' ' 130' ' ' ASN . 1.5 mm? -128.95 -129.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.459 ' H ' ' HB3' ' A' ' 129' ' ' LEU . 1.2 m-20 60.69 -97.85 0.07 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.531 0.205 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.454 ' H ' ' HB3' ' A' ' 130' ' ' ASN . 0.0 OUTLIER -131.21 170.75 14.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.977 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -78.31 -19.58 53.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.704 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 119.38 24.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -84.49 -30.54 25.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' HB ' ' CZ3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -126.08 118.79 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 136.42 54.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.767 HD11 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -110.36 165.64 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.141 0.496 . . . . 0.0 111.894 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -143.41 87.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.981 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.502 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -84.79 138.62 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.059 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.77 165.68 14.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.469 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.98 26.78 3.42 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.29 124.55 6.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.671 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.99 -174.51 16.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.602 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.67 124.11 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG11 HD12 ' A' ' 18' ' ' LEU . 12.5 m -130.54 -174.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.528 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' H ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -114.34 155.19 46.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.744 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.91 92.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.325 2.017 . . . . 0.0 112.386 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 12.12 5.78 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.747 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 -135.44 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -164.88 134.52 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD12 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -133.93 146.75 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.728 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -124.81 109.39 13.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.61 159.09 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -139.97 165.23 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.566 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -143.56 111.08 5.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.604 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.88 132.4 33.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.358 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -135.44 170.59 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.18 137.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.56 2.08 6.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.799 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.9 -12.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.289 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.531 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 36.8 m 65.14 141.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 2.5 m-85 -83.16 -174.85 5.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.71 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.554 ' HG ' HH21 ' A' ' 72' ' ' ARG . 25.2 t 54.58 25.49 6.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.35 -28.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -116.0 162.62 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.501 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -84.91 139.81 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 28.5 mmm -137.95 175.25 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' HB3' ' OG1' ' A' ' 50' ' ' THR . . . -163.94 150.71 11.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.139 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.567 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 14.7 m95 -105.1 107.26 18.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.617 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 47' ' ' TRP . 3.6 m -101.95 164.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.999 0.428 . . . . 0.0 111.737 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.0 ttp180 -140.29 151.4 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.013 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 16.8 tt0 -133.32 113.73 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.666 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . . . -97.59 157.72 34.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.89 91.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 32.72 3.36 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.624 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -131.63 158.8 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.79 42.42 2.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 37' ' ' VAL . 12.4 tp 62.85 160.54 0.08 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.204 0.526 . . . . 0.0 111.461 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.2 tt0 -153.07 130.46 11.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.894 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.573 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -61.1 -27.6 68.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.567 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 2.5 t 56.57 -78.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.491 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 5.9 m -126.02 147.14 49.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.509 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -139.71 128.91 23.86 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.069 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 70' ' ' ILE . 2.9 tt -120.88 142.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.016 0.436 . . . . 0.0 111.575 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.619 HD22 ' H ' ' A' ' 57' ' ' SER . 34.8 p-10 -96.69 148.1 33.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.721 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.49 -73.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.547 2.164 . . . . 0.0 112.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.7 -174.04 44.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.092 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.95 -80.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.26 . . . . 0.0 111.27 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' H ' HD22 ' A' ' 52' ' ' ASN . . . 131.02 1.94 4.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.453 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.619 ' H ' HD22 ' A' ' 52' ' ' ASN . 3.0 t -53.41 118.19 3.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.731 0.3 . . . . 0.0 110.69 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.98 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.575 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -140.12 124.89 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.575 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.561 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 57.6 m-85 -125.23 164.89 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 13.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 76.0 -48.3 0.58 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.36 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -80.65 13.7 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.803 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HA ' ' HG3' ' A' ' 67' ' ' ARG . 12.5 m -139.08 14.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.561 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -76.9 -64.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.189 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.81 33.66 2.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -145.2 -55.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.704 0.288 . . . . 0.0 111.384 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.608 ' HA ' ' O ' ' A' ' 82' ' ' GLN . 20.7 m-30 -106.47 124.98 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 111.97 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.714 ' HB ' ' HB3' ' A' ' 82' ' ' GLN . 6.2 m -104.98 134.25 48.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.115 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG21 ' HB ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -103.5 127.38 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.261 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 p -158.2 133.59 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.7 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.637 ' HD2' ' HD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -118.53 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.999 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -104.57 128.92 52.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 141.84 43.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.92 29.96 19.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -138.76 -155.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.934 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.531 ' OD1' ' HA ' ' A' ' 28' ' ' THR . 2.9 m120 -149.43 72.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -159.73 149.45 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.877 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 72' ' ' ARG . 23.8 tp -125.24 125.61 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.583 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -113.07 154.45 26.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.209 0.528 . . . . 0.0 112.099 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 69' ' ' THR . 2.2 tm? -135.47 141.59 45.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.663 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.714 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 14.8 tp60 -108.43 104.35 13.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.441 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.594 ' SD ' HG12 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -89.32 84.95 6.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.108 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -115.65 169.12 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.545 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.74 26.07 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.947 0.403 . . . . 0.0 110.455 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.22 148.43 14.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.161 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.559 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -159.61 61.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 63.9 1.99 1.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.559 ' HB3' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -98.38 -23.93 15.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.441 . . . . 0.0 110.317 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' OD2' HG11 ' A' ' 113' ' ' VAL . 2.6 t70 -80.53 -21.31 41.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.827 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.504 HG23 HG21 ' A' ' 114' ' ' THR . 27.1 m -59.21 90.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.378 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -178.49 179.03 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 18.5 t -88.45 145.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.227 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.56 ' O ' HG22 ' A' ' 111' ' ' THR . 20.5 m-85 -125.5 128.95 48.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 111.506 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.402 ' HE1' ' HB2' ' A' ' 39' ' ' GLN . 1.5 m-85 -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.87 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.767 ' O ' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.67 141.06 37.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.419 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 4' ' ' LEU . . . -161.67 167.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 3.9 tttt -83.15 139.23 33.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.805 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 144.93 29.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.221 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.87 -31.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.89 -94.64 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.84 -14.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.0 128.41 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.624 0.249 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 37' ' ' VAL . 11.8 tp -74.6 149.07 40.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.073 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.557 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -89.63 -35.43 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.871 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 63.29 89.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.073 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.676 ' CE3' HD13 ' A' ' 4' ' ' LEU . 1.1 m0 -98.76 -16.9 18.76 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.171 0.51 . . . . 0.0 110.534 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.641 ' N ' HD12 ' A' ' 4' ' ' LEU . . . -52.85 170.97 0.56 Allowed Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.997 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -72.86 -36.5 67.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 111.395 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.16 109.61 3.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.602 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 94' ' ' TYR . 4.2 t -90.41 130.32 36.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -89.78 105.25 17.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.594 HG12 ' SD ' ' A' ' 83' ' ' MET . 96.2 t -107.84 138.44 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.504 HG21 HG23 ' A' ' 91' ' ' THR . 8.1 m -137.59 151.88 48.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.244 0.545 . . . . 0.0 112.224 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.457 ' H ' HG21 ' A' ' 114' ' ' THR . 4.9 t -126.25 109.65 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.366 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.5 t -120.34 -104.14 0.4 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 p -173.34 58.8 0.02 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.746 0.307 . . . . 0.0 110.719 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 64.41 158.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.059 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.1 p -148.07 -29.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 61.24 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.59 57.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -122.41 117.08 25.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.57 75.94 0.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.222 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 8.8 tt -175.13 148.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.05 -71.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -177.08 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.699 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.15 -162.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.26 113.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.407 ' HB3' ' H ' ' A' ' 130' ' ' ASN . 0.3 OUTLIER 59.58 -147.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.485 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.407 ' H ' ' HB3' ' A' ' 129' ' ' LEU . 7.5 t-20 61.72 14.11 5.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.75 125.09 0.02 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.302 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -56.69 17.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.39 137.8 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -90.32 -48.42 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.414 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.742 0.306 . . . . 0.0 111.067 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' H ' ' HB3' ' A' ' 1' ' ' ASP . 2.0 m -93.12 138.09 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.832 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.22 141.02 52.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.133 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -114.61 177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.295 -178.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -142.57 121.07 12.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.622 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -101.68 133.22 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -132.59 161.62 33.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.181 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.27 -119.1 3.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.036 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.06 100.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.694 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.67 -175.51 17.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.88 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.52 107.7 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.48 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG22 ' HG ' ' A' ' 86' ' ' LEU . 2.9 m -123.13 164.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.222 0.534 . . . . 0.0 111.675 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 156.41 38.07 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.925 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.91 90.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.266 1.977 . . . . 0.0 112.256 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.68 -8.27 3.94 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.04 -131.18 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.582 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -175.03 149.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.81 149.62 47.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.556 ' HE ' HE22 ' A' ' 82' ' ' GLN . 17.6 ttm180 -128.63 104.73 7.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -105.82 161.81 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -140.02 165.36 27.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.34 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.446 ' C ' HG22 ' A' ' 78' ' ' THR . 37.2 t -154.77 105.22 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.62 107.32 16.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . . . -85.88 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.3 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -122.53 121.73 37.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.99 -48.47 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.606 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.402 ' HZ ' ' SD ' ' A' ' 34' ' ' MET . 44.9 p90 -132.52 -171.39 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -118.9 142.16 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.393 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' HD2' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -76.01 -169.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.293 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t 57.58 18.44 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -151.54 -22.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -107.51 -179.06 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -117.86 103.51 10.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.633 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.445 ' HE2' HD11 ' A' ' 4' ' ' LEU . 24.7 mmm -108.51 179.7 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.789 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -163.55 159.57 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.762 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.556 ' O ' HG23 ' A' ' 48' ' ' VAL . 18.0 m95 -104.46 139.93 38.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.537 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.643 ' HB ' HD12 ' A' ' 45' ' ' LEU . 4.4 m -127.25 165.44 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.215 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.695 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 15.0 ttp180 -143.27 149.26 37.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 11.0 tt0 -146.77 119.93 8.87 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.637 ' CB ' ' HB2' ' A' ' 92' ' ' ALA . . . 165.57 -54.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.176 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD3' ' HB1' ' A' ' 40' ' ' ALA . 24.6 Cg_exo -63.18 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.007 1.805 . . . . 0.0 110.328 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.61 -5.13 75.34 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.23 -168.27 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-N 114.473 -0.864 . . . . 0.0 111.884 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.67 17.81 43.03 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.271 -0.966 . . . . 0.0 110.77 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.643 HD12 ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER 68.15 160.06 0.17 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.969 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.49 126.12 3.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.451 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.499 ' HA ' HG12 ' A' ' 37' ' ' VAL . 11.6 t90 -74.0 110.48 8.32 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.1 m -84.61 -58.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.4 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.677 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -130.83 155.87 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 0.9 OUTLIER -139.08 133.63 31.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.834 178.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.73 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.8 tt -120.52 149.25 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.648 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.56 158.49 32.07 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.45 ' HB2' ' H ' ' A' ' 54' ' ' GLY . 67.1 Cg_exo -51.09 -83.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.822 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' H ' ' HB2' ' A' ' 53' ' ' PRO . . . -113.79 -0.93 24.35 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.92 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -56.41 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.02 -24.31 25.33 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.92 146.66 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.85 145.99 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.461 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -131.42 140.52 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.589 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 13.2 m-85 -126.36 169.52 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -74.5 12.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.317 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' TYR . 3.5 t70 74.7 -31.36 0.21 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.429 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 61' ' ' ALA . 46.2 m -96.57 9.82 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.554 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 48' ' ' VAL . 2.7 m -139.02 -3.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.277 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 5.8 tptp -59.5 123.03 15.51 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.58 -24.54 7.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.141 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 13.6 tpp180 -67.99 -55.53 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.128 0.49 . . . . 0.0 110.447 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 81' ' ' LEU . 21.7 m-30 -113.74 165.17 12.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.953 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.6 m -125.38 120.98 32.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.379 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.73 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -102.67 118.73 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.493 0.663 . . . . 0.0 111.269 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -151.43 159.06 44.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.255 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.592 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.64 169.0 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.83 144.06 26.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 10.6 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.75 2.59 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.82 157.86 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -83.63 74.51 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -138.45 152.81 48.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.614 -179.535 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 72' ' ' ARG . 19.4 tp -124.33 124.62 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.093 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -114.86 161.79 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.354 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -156.66 135.96 12.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.853 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.556 HE22 ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -104.37 110.9 23.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.313 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.628 ' HB3' HD13 ' A' ' 86' ' ' LEU . 2.0 mtt -84.01 101.81 12.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -101.34 166.62 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 t 70.47 -71.77 0.12 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.051 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.71 ' HG ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 61.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.28 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HG3' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -172.08 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.987 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.521 ' H ' ' HG3' ' A' ' 87' ' ' LYS . 20.6 m -151.07 -44.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.534 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 9.1 pt-20 -58.99 -30.52 68.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.221 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' HA ' ' HH ' ' A' ' 94' ' ' TYR . 32.5 t70 -62.94 -28.84 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 114' ' ' THR . 4.8 m -67.61 89.73 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB3' ' HG3' ' A' ' 38' ' ' ARG . . . -172.36 170.73 4.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 111' ' ' THR . 5.4 t -87.7 125.61 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.877 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.598 ' O ' HG22 ' A' ' 111' ' ' THR . 10.4 m-85 -104.6 150.0 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.119 0.485 . . . . 0.0 111.374 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.55 ' CE1' HD13 ' A' ' 45' ' ' LEU . 1.1 m-85 -142.46 161.94 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.489 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.634 ' O ' HD12 ' A' ' 4' ' ' LEU . 14.0 p -113.54 141.93 46.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.45 165.72 34.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.238 0.542 . . . . 0.0 112.347 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.607 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -91.58 152.39 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.858 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.607 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.55 115.31 22.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.422 . . . . 0.0 111.115 -179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -59.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.56 -81.22 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.58 10.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -130.21 -9.59 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 111.062 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HG ' ' H ' ' A' ' 105' ' ' ASP . 3.0 tp 61.52 171.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -115.5 -33.62 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.97 117.59 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.217 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -129.65 -134.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.822 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 74.41 177.36 37.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.984 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.622 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.57 -51.67 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 111.05 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.21 99.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.742 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 94' ' ' TYR . 9.0 t -97.51 120.77 38.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.942 0.401 . . . . 0.0 110.695 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.41 116.21 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.49 HG21 ' HE3' ' A' ' 83' ' ' MET . 87.9 t -108.62 118.21 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.09 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.424 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -116.97 148.67 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.275 0.56 . . . . 0.0 112.178 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 96.0 t -128.36 133.28 67.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.724 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 t -152.86 133.3 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -96.06 27.3 3.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 60.62 -179.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -96.96 100.67 12.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.95 175.3 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.752 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 121' ' ' GLN . 3.8 tt0 -137.49 144.84 42.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -52.22 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.5 159.2 22.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 tt -82.94 137.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 1.8 t -164.5 142.06 6.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 55.89 27.14 10.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 125' ' ' SER . 93.4 mt-10 -127.73 10.34 6.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -148.75 87.5 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.493 ' HB3' ' H ' ' A' ' 130' ' ' ASN . 0.2 OUTLIER -131.42 -87.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.493 ' H ' ' HB3' ' A' ' 129' ' ' LEU . 19.3 t-20 -159.04 134.19 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 15.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 -78.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.8 -7.83 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.488 ' HB2' HD22 ' A' ' 130' ' ' ASN . 39.2 t-80 61.89 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.712 0.291 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.625 HG12 ' HA3' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -120.87 128.52 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.307 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.87 128.88 47.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -113.25 -176.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.373 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.634 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 32.2 tt0 -147.32 111.89 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.831 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.425 ' H ' ' N ' ' A' ' 109' ' ' GLN . . . -94.32 116.65 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.496 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -142.57 146.62 34.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.23 -5.74 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.473 ' HA3' ' HG1' ' A' ' 111' ' ' THR . . . -59.51 138.39 49.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.393 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 -174.14 13.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.477 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.33 109.69 20.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.535 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.846 HG22 HD23 ' A' ' 86' ' ' LEU . 2.3 m -121.75 -176.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 111.6 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -103.54 167.15 10.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.949 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.94 30.9 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.609 2.206 . . . . 0.0 112.72 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -173.14 31.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.364 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.29 -134.02 6.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 t -157.11 146.96 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.668 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HB3' ' SD ' ' A' ' 83' ' ' MET . 8.0 tp -142.55 149.49 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -129.74 108.08 9.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG12 ' SD ' ' A' ' 83' ' ' MET . 22.2 m -104.81 147.59 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.293 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 p -128.8 166.32 19.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 78' ' ' THR . 3.6 t -147.65 104.87 3.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.23 100.35 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.879 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.66 175.84 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.327 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.5 103.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.625 ' HA3' HG12 ' A' ' 2' ' ' VAL . . . 163.49 -37.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.404 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.42 -175.31 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.65 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -85.13 -106.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -173.81 -62.35 0.02 OUTLIER 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.75 0.309 . . . . 0.0 111.261 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.2 t -62.78 -10.29 12.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -17.79 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.72 169.79 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' HE2' HD21 ' A' ' 52' ' ' ASN . 28.6 m80 -111.0 95.78 5.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.486 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.53 ' SD ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -87.52 166.45 14.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 111.907 -178.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' HB1' ' OG1' ' A' ' 50' ' ' THR . . . -160.02 155.55 25.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.67 ' O ' HG23 ' A' ' 48' ' ' VAL . 23.0 m95 -104.98 148.19 26.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.684 HG12 ' HG ' ' A' ' 45' ' ' LEU . 1.1 t -123.3 165.41 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.574 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 25.7 ttp180 -157.49 137.69 12.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 31.2 tt0 -126.76 114.45 17.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.77 163.82 63.25 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.292 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.37 -18.05 2.0 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.7 2.267 . . . . 0.0 112.419 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.62 70.37 0.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.583 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.41 167.01 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.325 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.19 51.23 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.267 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.684 ' HG ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER 66.42 149.44 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 0.0 111.323 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.83 134.42 14.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.492 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 49' ' ' SER . 1.1 t90 -71.87 111.76 7.39 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -79.64 -56.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.5 ' C ' ' HE1' ' A' ' 47' ' ' TRP . 0.7 OUTLIER -131.59 154.49 48.81 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.478 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 1.1 m -138.81 141.65 38.72 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.352 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.572 ' HB ' HG21 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -117.64 140.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.027 0.442 . . . . 0.0 111.651 -179.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.463 HD21 ' HE2' ' A' ' 33' ' ' HIS . 10.1 t-20 -109.98 128.85 24.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.07 153.56 28.69 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.575 2.183 . . . . 0.0 112.636 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.74 -92.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.726 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.1 -44.23 83.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.76 40.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.124 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.86 158.61 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.18 142.1 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.967 0.413 . . . . 0.0 111.52 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.12 136.72 52.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.707 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 12.3 m-85 -127.03 172.42 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.036 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -75.52 16.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 60' ' ' TYR . 1.1 m-20 76.53 -51.11 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.634 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -83.83 14.48 3.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.652 0.263 . . . . 0.0 111.192 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.603 ' HA ' ' HB2' ' A' ' 67' ' ' ARG . 2.0 m -139.99 0.85 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.615 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.707 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -53.07 -52.4 58.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.353 . . . . 0.0 110.613 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.49 27.4 20.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.759 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.718 HH21 ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -111.39 -57.0 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 111.075 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HE1' ' HB3' ' A' ' 83' ' ' MET . 97.3 m-85 -116.55 165.31 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.546 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 m -126.77 125.86 42.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.288 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.572 HG21 ' HB ' ' A' ' 51' ' ' ILE . 1.6 tt -103.2 131.26 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.552 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.19 166.11 34.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.784 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 29.2 ptt180 -160.99 155.97 24.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -100.37 127.97 46.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.98 151.37 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.07 19.01 5.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -138.28 118.46 13.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.427 HD21 ' HA ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -78.3 70.21 4.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 1.5 m -156.09 118.56 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 112.089 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.53 HD13 ' SD ' ' A' ' 34' ' ' MET . 1.4 mt -85.82 143.6 28.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.719 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.404 ' HE1' ' HB ' ' A' ' 78' ' ' THR . 62.4 m-85 -133.18 130.53 39.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 69' ' ' THR . 7.4 tt -127.11 136.78 52.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.606 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.529 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 36.6 tp60 -103.75 104.9 14.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.553 ' SD ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.73 -179.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 161.61 15.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.33 43.72 31.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.717 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.846 HD23 HG22 ' A' ' 12' ' ' VAL . 2.1 mp -60.88 132.32 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.663 ' HG3' ' H ' ' A' ' 89' ' ' GLU . 14.2 ptpt -132.44 -166.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 t -62.21 -16.09 50.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.068 0.461 . . . . 0.0 110.389 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.718 ' HG2' HH21 ' A' ' 67' ' ' ARG . 4.2 tp10 -82.49 -39.63 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -28.41 21.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.9 m -63.95 90.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.432 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . -170.24 -179.49 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.275 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 38.8 t -97.44 145.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 111' ' ' THR . 22.4 m-85 -121.69 147.82 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 111.896 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.471 ' CE1' HD12 ' A' ' 45' ' ' LEU . 35.9 m-85 -134.72 167.41 20.89 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.731 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.552 ' O ' HD11 ' A' ' 4' ' ' LEU . 4.8 p -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.499 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.479 ' O ' HD11 ' A' ' 104' ' ' LEU . . . -165.25 165.93 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.141 0.496 . . . . 0.0 111.913 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.533 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.68 151.24 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.983 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.37 113.26 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 111.222 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.17 10.97 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.42 -61.29 0.57 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.238 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.68 118.89 2.87 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.369 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.62 159.63 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 97' ' ' ALA . 9.9 tp -98.85 156.52 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.038 0.447 . . . . 0.0 111.461 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.647 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 2.2 t0 -97.9 -30.76 12.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.082 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.34 108.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.899 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.647 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.3 m0 -125.74 -10.4 6.71 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 111.005 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.437 ' HA3' ' SG ' ' A' ' 96' ' ' CYS . . . -77.26 148.39 34.26 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.174 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.634 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 5.6 mm-40 -51.88 131.96 31.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.291 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.03 98.54 0.72 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.581 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.475 ' O ' HG11 ' A' ' 93' ' ' VAL . 6.1 t -71.8 137.71 47.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -90.65 103.01 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.839 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -107.11 129.17 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.895 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.568 HG21 ' H ' ' A' ' 115' ' ' VAL . 1.4 m -133.71 162.3 32.33 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.568 ' H ' HG21 ' A' ' 114' ' ' THR . 3.5 t -131.44 108.73 15.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.814 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.7 t -128.75 149.92 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.43 113.66 15.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.6 14.29 17.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.87 141.58 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -70.1 -23.17 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.69 102.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.055 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -104.11 -72.3 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 57.11 91.42 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -124.81 137.95 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.044 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.411 ' N ' HG13 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -140.76 70.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -147.45 3.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.74 97.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.05 89.73 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.1 mt 63.06 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.293 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.06 68.86 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.13 91.99 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -93.69 -49.66 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.67 179.59 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -90.57 -169.54 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.798 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.8 m80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.951 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.757 0.313 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.472 HG21 HD23 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -121.72 151.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.172 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.45 141.15 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.618 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -124.27 -174.59 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.734 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 0.7 OUTLIER -152.71 140.72 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . . . -125.37 164.64 19.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 111.741 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.537 ' HG ' ' H ' ' A' ' 8' ' ' GLY . 23.2 t -176.75 169.13 2.53 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.537 ' H ' ' HG ' ' A' ' 7' ' ' SER . . . 117.86 13.81 7.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.716 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 144.25 45.7 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.65 176.08 26.67 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.4 OUTLIER -108.9 106.57 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 86' ' ' LEU . 3.3 m -111.65 -178.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.59 41.31 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.17 82.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.493 2.129 . . . . 0.0 112.177 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.54 -21.61 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.161 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.52 -136.61 0.17 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.265 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -174.75 136.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -120.66 145.34 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.067 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . 5.6 ttm-85 -122.81 107.54 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.541 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -103.69 168.45 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.0 111.439 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.534 ' N ' HG12 ' A' ' 20' ' ' VAL . 3.3 p -144.92 165.35 28.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.741 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 35.5 t -144.72 113.31 6.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.382 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.696 ' HA ' HG21 ' A' ' 78' ' ' THR . . . -92.59 104.82 17.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.096 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.6 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . . . -87.51 170.09 11.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.287 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -151.03 125.39 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.703 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.34 -66.55 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.169 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -110.53 178.4 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.627 0.251 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -72.57 -119.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.958 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -169.7 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.792 ' HA ' HH12 ' A' ' 72' ' ' ARG . 2.8 t -68.98 -18.33 64.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t -82.34 -27.69 32.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -112.75 -168.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.645 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.16 151.45 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.141 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.545 ' HB3' HD13 ' A' ' 79' ' ' LEU . 1.4 mmt -143.94 163.68 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.219 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -162.92 154.97 18.29 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.553 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.674 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 32.8 m95 -111.66 115.18 28.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.476 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.605 ' CG1' ' HA ' ' A' ' 47' ' ' TRP . 15.5 m -102.34 163.47 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 8.9 ttp180 -138.64 148.07 43.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.409 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 24.4 tt0 -138.21 105.27 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB3' ' HG3' ' A' ' 43' ' ' LYS . . . -76.19 153.44 84.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.21 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.607 2.205 . . . . 0.0 112.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 68.54 1.25 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.568 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.779 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 14.1 mmtt -142.86 -99.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.69 22.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.479 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.57 HD21 ' HB ' ' A' ' 37' ' ' VAL . 2.8 tt 64.19 162.92 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.062 0.458 . . . . 0.0 111.243 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -160.26 126.17 4.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.22 179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HA ' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.2 -24.01 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.606 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.826 HG22 HG12 ' A' ' 64' ' ' VAL . 2.6 t 55.99 -76.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.584 ' N ' HG12 ' A' ' 48' ' ' VAL . 60.5 p -134.08 149.03 51.1 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.556 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -134.99 145.12 47.81 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.938 179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.689 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.7 tt -123.92 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 0.0 111.315 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -84.65 144.93 43.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' HH22 ' A' ' 72' ' ' ARG . 10.0 Cg_endo -51.61 121.74 9.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.686 2.257 . . . . 0.0 112.566 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' H ' HH22 ' A' ' 72' ' ' ARG . . . 94.42 20.25 30.28 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.55 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 53.97 64.28 1.89 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.01 -110.24 3.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.592 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -79.92 156.31 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.663 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.31 143.2 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.316 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -132.23 128.19 37.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.549 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.661 ' HH ' HG22 ' A' ' 70' ' ' ILE . 13.2 m-85 -118.91 165.97 13.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -78.81 14.01 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.496 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 73.04 -27.93 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -89.72 -10.22 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.778 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.826 HG12 HG22 ' A' ' 48' ' ' VAL . 35.5 m -124.59 13.01 4.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 13.1 tptt -84.55 121.92 28.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.5 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.35 -11.1 65.36 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.853 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' H ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -108.23 -49.32 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.96 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 16.2 m-30 -104.89 152.31 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.109 0.48 . . . . 0.0 111.59 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 87.4 m -123.75 119.15 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.491 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.99 120.3 52.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.52 166.41 33.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.341 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.792 HH12 ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -159.16 -178.68 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.429 -179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.72 179.43 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -125.29 14.74 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.44 51.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -8.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.319 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.99 73.37 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.696 HG21 ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -161.87 157.29 23.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 111.895 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.674 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -125.79 123.64 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.757 179.131 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 71.1 m-85 -118.44 125.83 50.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.611 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -125.54 138.24 53.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 18.4 tp60 -104.47 106.61 17.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 9.2 mtt -82.96 87.36 6.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -105.03 170.3 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.024 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.97 53.32 12.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 12' ' ' VAL . 1.6 mp -72.09 168.91 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.507 ' HE2' ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -162.32 -49.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.621 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.85 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' HG2' ' HE2' ' A' ' 87' ' ' LYS . 8.4 pt-20 -60.03 -17.61 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.202 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -74.25 -32.79 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 179.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.739 HG21 ' HA ' ' A' ' 114' ' ' THR . 3.1 m -63.79 92.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.853 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 40' ' ' ALA . . . -172.39 -166.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.032 0.444 . . . . 0.0 111.489 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.32 126.96 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.746 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 22.3 m-85 -109.19 137.87 46.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -124.24 165.37 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.484 ' SG ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -130.02 143.01 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 4' ' ' LEU . . . -163.08 165.54 24.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.259 0.552 . . . . 0.0 112.208 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.436 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -87.33 141.13 28.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -83.86 171.43 13.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.21 -47.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -127.41 -83.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.54 -6.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.697 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.02 157.82 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.481 ' CD2' HG11 ' A' ' 37' ' ' VAL . 8.9 tp -98.45 154.54 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.707 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.9 OUTLIER -98.3 -35.58 10.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.233 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 67.17 111.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.707 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -132.07 -0.01 3.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -95.61 148.54 19.02 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.818 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.734 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -53.66 133.94 41.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.79 113.98 4.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.274 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 111' ' ' THR . 6.3 t -71.19 129.88 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.98 97.29 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 18' ' ' LEU . 50.2 t -104.7 124.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.739 ' HA ' HG21 ' A' ' 91' ' ' THR . 0.1 OUTLIER -124.38 160.69 27.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.749 -179.512 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.56 101.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.9 p -123.0 165.66 16.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.641 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 30.8 p -89.13 -11.39 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.086 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 117' ' ' SER . 0.1 OUTLIER 38.58 -152.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.101 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.25 31.64 1.54 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.004 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' A' ' 118' ' ' GLN . 4.9 mm-40 -79.8 175.04 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.63 -30.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.61 161.57 17.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.06 70.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.261 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 43.9 mt 52.43 -95.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 p 57.53 15.78 2.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.311 . . . . 0.0 111.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.52 19.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 56.25 28.22 12.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.33 -178.93 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 mt -110.5 113.72 26.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -106.48 147.35 29.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.11 -166.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.818 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -134.52 155.34 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -105.06 -64.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 -179.4 6.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.66 0.267 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 HG21 ' CZ3' ' A' ' 107' ' ' TRP . 33.1 m -86.67 133.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.241 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.99 144.35 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.566 HD11 ' SG ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -129.76 177.17 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' HB3' HE21 ' A' ' 109' ' ' GLN . 0.0 OUTLIER -145.12 121.7 11.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -100.04 145.77 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.466 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.658 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 12.3 t -169.1 179.27 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.635 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.12 -19.08 41.34 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.646 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.23 162.36 1.35 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.655 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.95 -173.77 37.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.859 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 114' ' ' THR . 15.4 mt -97.66 127.39 43.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 13' ' ' GLN . 1.9 m -112.42 -174.69 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.599 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -107.73 123.26 38.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.208 178.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.14 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.25 2.633 . . . . 0.0 113.231 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 15.15 9.59 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.359 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.61 -133.45 7.88 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.73 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -159.18 158.36 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.37 124.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.371 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.533 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . 2.3 ttt-85 -104.78 121.51 43.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG21 ' CH2' ' A' ' 36' ' ' TRP . 3.2 m -116.4 162.29 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 58.0 p -138.27 161.0 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.372 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 78' ' ' THR . 50.0 t -133.61 113.79 12.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.245 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -84.29 91.63 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . . . -93.23 175.51 6.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.695 ' HA ' HD21 ' A' ' 77' ' ' ASN . 0.5 OUTLIER 179.52 114.94 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.647 0.261 . . . . 0.0 111.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.88 0.42 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.755 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.64 -24.55 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.522 0.661 . . . . 0.0 112.393 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.493 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 5.0 m 61.8 161.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 111.56 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 31' ' ' SER . 1.3 m-85 -105.25 -160.05 0.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.752 ' HA ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER 66.62 -7.24 0.46 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.021 -179.677 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 29' ' ' PHE . 38.2 m -134.04 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.785 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.57 171.16 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.259 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.87 132.67 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.313 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.406 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 1.1 mmt -126.91 168.81 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.548 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -163.57 149.4 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.085 0.469 . . . . 0.0 112.139 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.59 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 20.6 m95 -104.18 109.29 21.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 47' ' ' TRP . 2.3 m -103.01 165.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 5.2 ttp180 -143.36 148.13 35.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.417 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 27.3 tt0 -136.03 113.33 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.51 150.35 76.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.59 98.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.594 2.196 . . . . 0.0 112.382 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.03 48.38 3.61 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.5 -162.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.126 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.61 23.64 6.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD11 HG21 ' A' ' 37' ' ' VAL . 2.6 tt 64.05 166.44 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.144 0.497 . . . . 0.0 111.554 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -155.71 126.16 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.061 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.72 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.06 -26.6 16.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.799 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.636 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 23.6 t 58.52 -77.98 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.444 ' OG ' ' HB ' ' A' ' 70' ' ' ILE . 82.8 p -133.14 148.7 52.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.591 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -133.97 145.56 49.64 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.119 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 ' HB ' HG12 ' A' ' 70' ' ' ILE . 4.0 tt -121.72 141.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -88.49 143.73 32.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.226 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 76.4 Cg_exo -47.11 135.96 18.43 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.752 ' H ' ' HA ' ' A' ' 30' ' ' SER . . . 91.77 3.46 68.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.66 83.86 0.1 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.11 -90.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 140.83 49.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.714 0.292 . . . . 0.0 110.679 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.39 141.08 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 111.785 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.47 133.55 40.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.24 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.62 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 12.6 m-85 -120.27 167.04 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -72.62 12.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 60' ' ' TYR . 22.5 m-20 73.35 -24.57 0.2 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.537 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -98.89 -3.54 35.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.449 ' H ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -118.35 -1.67 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.275 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.62 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 20.8 mmmt -59.71 117.15 4.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.09 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -60.04 3.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.6 m-30 -116.66 165.08 13.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.659 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.4 m -127.2 120.73 29.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.552 HG12 ' HB ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -101.81 119.7 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.386 0.612 . . . . 0.0 111.174 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -151.08 165.69 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.026 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.751 ' HB3' HD13 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -160.71 177.73 10.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.919 0.39 . . . . 0.0 111.189 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.4 -32.24 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.36 -32.4 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -105.76 163.99 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.695 HD21 ' HA ' ' A' ' 25' ' ' SER . 5.4 m-20 -104.28 66.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.675 HG23 ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -140.95 143.98 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 112.028 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 72' ' ' ARG . 11.7 tp -107.33 142.14 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.48 ' N ' ' HE1' ' A' ' 36' ' ' TRP . 34.8 m-85 -128.03 154.51 45.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.166 0.507 . . . . 0.0 112.004 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.659 ' HA ' ' O ' ' A' ' 69' ' ' THR . 3.2 tp -153.1 133.86 13.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.718 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.533 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 37.5 tp60 -104.42 106.04 16.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.242 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.466 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 1.4 mtt -85.01 93.25 8.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.83 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.412 ' OD1' ' HB3' ' A' ' 17' ' ' SER . 3.3 m-20 -103.55 84.33 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.469 ' HG ' ' H ' ' A' ' 86' ' ' LEU . 3.5 p -176.39 -93.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 85' ' ' SER . 0.4 OUTLIER 53.07 94.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.186 0.517 . . . . 0.0 110.542 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.12 43.84 2.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.245 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 57.44 17.19 3.66 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.205 0.526 . . . . 0.0 110.212 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -121.52 -34.09 3.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.436 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.8 m 44.07 91.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.44 172.53 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.345 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 111' ' ' THR . 24.4 t -85.76 144.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.175 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 26.9 m-85 -124.37 138.82 54.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.11 0.481 . . . . 0.0 111.464 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.97 165.24 26.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.162 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -121.01 137.24 54.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 4' ' ' LEU . . . -145.92 160.98 41.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.158 0.504 . . . . 0.0 112.235 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.73 128.33 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.466 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.97 149.21 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.35 -59.2 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.12 -33.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.68 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.85 11.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.584 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.13 108.45 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.502 HD22 ' CG1' ' A' ' 37' ' ' VAL . 7.5 tp -69.34 165.09 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.578 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -108.41 -27.53 9.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.27 109.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.948 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.578 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 4.8 m0 -128.7 -128.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 70.12 176.26 18.11 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.577 HE21 ' HB3' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -85.84 -36.8 19.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.75 96.43 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.65 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 9.4 t -94.05 135.33 35.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.08 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -84.81 106.03 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.31 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.03 113.62 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.75 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 23.0 m -133.09 148.07 52.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.893 0.378 . . . . 0.0 111.423 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -107.67 103.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.34 109.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.03 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 1.4 t -165.47 109.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER 56.0 177.96 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.355 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -122.92 -49.35 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.04 172.17 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -146.99 -15.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -97.31 158.99 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.56 166.66 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.92 105.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.39 7.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.38 -68.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -63.02 -50.7 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.34 51.87 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.7 tp -147.5 -32.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.39 111.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -110.04 41.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -162.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -38.51 57.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.92 123.42 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.942 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.775 0.321 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m -130.41 27.05 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.369 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.8 160.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 96' ' ' CYS . 42.4 mt -151.77 155.01 37.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -152.11 93.52 1.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.598 ' N ' ' HG2' ' A' ' 109' ' ' GLN . . . -101.68 141.25 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.465 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -145.3 146.0 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.2 -0.97 2.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.641 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.81 94.13 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.917 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.08 -174.35 22.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.651 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 114' ' ' THR . 1.1 mm? -108.92 120.64 43.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.48 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.698 HG22 ' HG ' ' A' ' 86' ' ' LEU . 19.2 m -127.01 -178.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.292 0.568 . . . . 0.0 111.542 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.53 ' HG2' ' N ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.88 148.95 72.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.453 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.53 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 97.4 Cg_exo -45.76 94.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.482 2.121 . . . . 0.0 112.473 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.44 12.12 5.79 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.607 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.45 -143.04 10.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -164.54 112.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 83' ' ' MET . 31.7 tp -112.94 148.37 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -128.4 106.85 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 81' ' ' LEU . 11.0 m -103.91 147.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 p -124.78 165.62 17.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.019 0.437 . . . . 0.0 111.761 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -145.31 128.62 16.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.9 132.52 54.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.5 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 4' ' ' LEU . . . -136.18 175.34 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 m -162.81 125.04 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.29 -2.37 1.54 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.163 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.27 -13.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.863 0.331 . . . . 0.0 111.47 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m 65.65 144.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 111.58 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.521 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 3.2 m-85 -88.82 -176.31 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m 59.59 5.68 0.7 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.627 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 29' ' ' PHE . 2.9 m -126.74 -22.87 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.074 0.464 . . . . 0.0 110.235 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -117.23 -178.25 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.425 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -93.09 139.65 30.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.627 ' HB3' HD11 ' A' ' 79' ' ' LEU . 92.1 mmm -138.4 159.53 41.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -165.12 156.06 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.287 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.649 ' O ' HG22 ' A' ' 48' ' ' VAL . 29.2 m95 -106.5 143.0 35.25 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.642 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 104' ' ' LEU . 19.3 m -126.78 165.78 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.923 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.492 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.6 ttp180 -143.38 151.34 40.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.156 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -133.8 104.27 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.863 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 92' ' ' ALA . . . -77.39 150.19 79.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.72 110.64 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 0.0 112.547 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.42 48.84 2.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.371 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.53 -173.24 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.754 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.662 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . -111.04 -41.46 1.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.119 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 6.1 tp 161.98 165.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.347 0.659 . . . . 0.0 110.486 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.27 130.82 7.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.467 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.3 t90 -81.01 110.18 16.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.0 m -79.45 -60.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.013 0.435 . . . . 0.0 111.716 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.598 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -129.97 152.48 49.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.303 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.56 151.47 50.14 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.06 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.742 ' HB ' HD11 ' A' ' 70' ' ' ILE . 1.6 tt -132.41 138.53 52.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.65 111.21 25.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.87 171.06 14.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.561 2.174 . . . . 0.0 112.248 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.46 3.81 90.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -161.48 -63.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.96 -3.99 9.81 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.275 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -58.07 133.53 55.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.806 0.336 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.02 136.15 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.499 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -125.45 134.34 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 4.8 m-85 -116.69 174.29 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.36 11.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.949 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 76.29 -42.54 0.44 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 16.9 7.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.592 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -139.34 -5.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.35 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.653 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -66.4 137.91 57.2 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.76 -0.88 48.76 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.069 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -99.09 -65.77 0.94 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.335 0.588 . . . . 0.0 110.235 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -104.73 160.42 14.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 22.8 m -121.8 114.07 20.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.742 HD11 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.35 121.26 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.689 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.2 t -158.58 158.0 33.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.667 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.67 174.42 10.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.89 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.98 156.41 18.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.21 29.01 17.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.521 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -86.76 82.1 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -151.74 142.09 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.186 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 34' ' ' MET . 0.7 OUTLIER -121.27 136.23 55.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.421 179.034 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -126.44 140.79 52.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 0.0 111.771 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.0 tp -132.83 130.03 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.37 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 34.7 tp60 -103.69 105.17 15.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.703 ' HE2' HG22 ' A' ' 113' ' ' VAL . 16.8 mtt -82.64 100.73 10.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 172.46 7.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 m 54.06 47.39 23.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.377 . . . . 0.0 110.763 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.746 ' H ' HD21 ' A' ' 86' ' ' LEU . 1.1 mm? -69.1 154.4 42.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.112 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.588 ' HG2' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -153.11 -48.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.005 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.588 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -175.46 -49.55 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.991 0.424 . . . . 0.0 111.013 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.04 -20.91 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.626 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.97 -32.93 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.743 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.788 HG22 ' HA ' ' A' ' 114' ' ' THR . 24.6 m -66.07 101.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.283 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . -178.62 178.9 0.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 111' ' ' THR . 8.5 t -90.49 133.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.836 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 111' ' ' THR . 27.6 m-85 -116.17 154.56 29.82 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.297 0.57 . . . . 0.0 112.384 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE2' ' HA2' ' A' ' 110' ' ' GLY . 3.6 m-85 -144.63 165.3 28.4 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.183 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.655 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.01 107.66 7.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.222 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' C ' HD11 ' A' ' 104' ' ' LEU . . . -125.61 169.6 12.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 111.962 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.3 OUTLIER -82.78 139.37 33.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.237 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 166.08 18.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.047 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -127.18 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.97 -21.16 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.809 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 173.14 29.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.833 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.7 142.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.669 0.271 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.494 ' CD2' HG12 ' A' ' 37' ' ' VAL . 10.1 tp -89.97 155.31 19.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.945 0.403 . . . . 0.0 111.229 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -101.64 -33.64 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.315 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 63.96 119.1 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.593 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 5.6 m0 -111.61 -85.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -103.35 -146.44 16.82 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.758 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.598 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 6.9 mt-30 76.75 -132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.239 0.616 . . . . 0.0 111.871 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 95' ' ' TYR . . . 110.29 55.62 0.53 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.9 t -84.17 130.47 34.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 111.345 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -93.08 108.6 20.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.703 HG22 ' HE2' ' A' ' 83' ' ' MET . 79.0 t -104.56 129.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.918 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.788 ' HA ' HG22 ' A' ' 91' ' ' THR . 26.3 m -134.55 145.14 48.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 112.208 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.27 112.24 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.59 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.81 80.86 8.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -171.95 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -129.07 -70.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.02 -90.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 58.77 -175.24 0.09 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 -72.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -114.23 118.12 33.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.52 125.91 21.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 15.5 tt -80.4 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 p -82.91 129.12 34.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.704 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 111.02 3.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -167.31 9.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.13 -74.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER 61.85 109.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.79 -27.69 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.5 m80 57.61 -165.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.88 170.48 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.042 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.53 154.96 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -128.26 28.41 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.023 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.842 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.733 0.301 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -120.59 110.15 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.743 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 138.62 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -110.51 161.01 16.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 111.492 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.675 ' HG3' HE21 ' A' ' 109' ' ' GLN . 42.3 tt0 -117.44 108.5 15.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.232 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 134.93 33.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.709 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -162.14 174.09 13.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.34 30.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.79 120.0 19.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.8 -174.37 13.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.746 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 HE22 ' A' ' 118' ' ' GLN . 1.8 mm? -114.48 128.35 56.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.642 HG12 ' N ' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -136.18 -173.18 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.69 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.642 ' N ' HG12 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -129.31 156.93 77.63 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.543 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 73.3 Cg_exo -49.21 106.14 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.383 2.055 . . . . 0.0 112.185 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.18 6.14 27.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.13 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' A' ' 12' ' ' VAL . . . -82.58 -148.65 7.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.625 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.92 112.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.801 0.334 . . . . 0.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -122.72 129.55 51.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HB2' HE22 ' A' ' 82' ' ' GLN . 2.3 ttm180 -104.61 116.71 32.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.69 149.63 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -122.39 164.36 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 0.0 111.535 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -147.96 104.52 3.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.69 166.0 16.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 4' ' ' LEU . . . -166.92 158.21 12.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 101.3 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.161 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.99 6.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.044 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CD1' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -167.88 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.896 0.348 . . . . 0.0 111.803 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 64.06 159.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' HE1' ' HB3' ' A' ' 24' ' ' ALA . 5.3 m-85 -100.52 -164.97 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB2' ' HA ' ' A' ' 74' ' ' ASN . 20.2 t 59.61 14.17 3.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.17 -37.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -106.7 157.2 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 5.1 m-70 -92.17 95.04 9.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.1 mmm -84.21 172.11 12.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.698 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.62 ' HB2' ' HG1' ' A' ' 50' ' ' THR . . . -150.51 153.96 36.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.613 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 12.1 m95 -104.29 108.86 20.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.319 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.706 HG11 ' HG ' ' A' ' 45' ' ' LEU . 1.4 t -100.7 166.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.458 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HG2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -149.51 152.4 35.52 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 112.144 -178.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 2.1 tt0 -138.3 128.24 25.45 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.802 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' CB ' ' HD2' ' A' ' 41' ' ' PRO . . . -128.36 178.75 1.5 Allowed Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.118 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD2' ' CB ' ' A' ' 40' ' ' ALA . 49.9 Cg_exo -30.39 -67.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.067 2.511 . . . . 0.0 113.031 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -58.38 -32.27 67.94 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.307 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.9 ptpt 54.94 -176.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.86 -7.04 6.48 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.706 ' HG ' HG11 ' A' ' 37' ' ' VAL . 1.2 tp 62.24 134.76 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 114.407 -0.896 . . . . 0.0 112.071 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.808 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.6 tt0 -129.66 122.02 28.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.111 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.524 ' O ' ' O ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -55.59 -28.16 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.157 -179.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.808 HG23 ' HG2' ' A' ' 46' ' ' GLU . 37.3 t 55.13 -77.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 29.5 m -131.05 155.16 47.36 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.62 ' HG1' ' HB2' ' A' ' 35' ' ' ALA . 1.2 m -146.63 136.19 23.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.887 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.485 HG12 ' NH1' ' A' ' 72' ' ' ARG . 1.6 tt -116.47 140.46 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 111.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -117.1 116.43 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.802 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.47 166.22 26.41 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.57 2.18 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.72 -77.35 1.05 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.652 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.81 -7.53 4.18 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.165 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.26 136.43 48.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.33 157.19 26.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.641 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -131.46 129.93 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.289 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.609 ' HB3' HG23 ' A' ' 64' ' ' VAL . 23.5 m-85 -126.6 158.92 35.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.295 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.61 20.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 60' ' ' TYR . 9.3 t70 75.9 -57.07 0.58 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.545 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.05 30.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -148.44 -11.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 7.9 tptt -54.42 -32.57 57.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.95 3.71 22.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.583 ' NE ' ' HE3' ' A' ' 87' ' ' LYS . 2.2 tpp180 -96.42 -65.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.402 . . . . 0.0 110.993 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.598 ' HD1' ' HA ' ' A' ' 83' ' ' MET . 67.3 m-85 -109.09 161.01 15.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.218 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 17.7 m -123.36 128.03 49.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.464 HG22 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -101.2 136.32 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.159 0.504 . . . . 0.0 110.582 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -147.22 161.76 40.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.485 ' NH1' HG12 ' A' ' 51' ' ' ILE . 1.4 ttp-105 -166.13 142.2 4.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' N ' ' HG2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -87.27 142.09 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.563 179.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.612 ' HA ' ' HB2' ' A' ' 30' ' ' SER . 0.1 OUTLIER -88.66 46.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.46 -69.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.319 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG2' ' HG1' ' A' ' 78' ' ' THR . 3.6 ttmt -79.64 146.15 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.77 84.5 4.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.48 ' HG1' ' HG2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -155.41 156.5 35.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.074 0.464 . . . . 0.0 111.759 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 72' ' ' ARG . 19.8 tp -131.28 126.16 34.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -120.22 150.02 41.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 111.766 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.502 HD22 ' HG3' ' A' ' 83' ' ' MET . 0.7 OUTLIER -140.35 142.61 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.241 178.676 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.462 HE22 ' HB2' ' A' ' 19' ' ' ARG . 8.7 tp60 -103.84 107.97 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.598 ' HA ' ' HD1' ' A' ' 68' ' ' PHE . 12.0 mtt -85.3 99.95 11.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -122.38 170.04 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.49 32.95 21.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.204 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 3.1 mp -61.93 127.01 29.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.64 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.617 ' HG2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -116.26 -44.87 2.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.617 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 2.1 t 177.93 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.325 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -22.94 67.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.003 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' HB2' HG11 ' A' ' 115' ' ' VAL . 1.3 m-20 -59.99 -45.62 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 m -46.69 99.25 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.025 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 39' ' ' GLN . . . 179.74 174.14 0.86 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.317 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 111' ' ' THR . 25.0 t -92.45 140.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.455 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 38' ' ' ARG . 39.9 m-85 -115.88 136.57 52.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 112.663 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 54.9 m-85 -115.82 168.99 9.56 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.848 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 4' ' ' LEU . 2.9 p -142.36 141.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.713 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -162.79 166.52 24.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 5.1 tttt -84.79 148.08 26.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.828 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -88.04 134.28 33.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.04 136.02 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.995 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.76 -7.34 55.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.28 -3.46 64.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.62 128.69 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.713 HD13 ' HB1' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -66.49 149.16 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.804 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.505 ' CB ' HD21 ' A' ' 45' ' ' LEU . . . 65.85 115.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.722 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -124.44 -130.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.025 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 68.42 176.37 11.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.73 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.675 HE21 ' HG3' ' A' ' 5' ' ' GLN . 16.3 mt-30 -95.92 -18.55 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.595 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.13 106.36 2.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.375 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 93' ' ' VAL . 10.6 t -93.93 132.25 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -84.76 104.07 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.51 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.473 HG11 ' SD ' ' A' ' 83' ' ' MET . 76.8 t -114.15 116.77 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.43 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -129.61 145.11 51.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 86' ' ' LEU . 1.9 p -120.62 104.31 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.63 -116.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.052 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.23 25.33 0.25 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.721 HE22 HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -129.92 -164.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 0.5 OUTLIER -154.49 -175.66 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.29 46.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.95 -63.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -98.83 142.99 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.59 112.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.509 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -76.26 165.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.937 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 69.9 m -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.44 81.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 63.59 119.02 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.54 117.11 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 pp -162.73 6.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.87 -22.94 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -81.47 -20.54 40.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.727 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.69 -168.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 134.36 54.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -62.21 -69.55 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 68.3 t60 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.909 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.817 0.341 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.9 tm0? -120.36 138.63 53.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -127.24 166.11 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -134.26 133.93 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.759 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -121.47 150.56 41.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.047 0.451 . . . . 0.0 111.777 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.455 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -171.82 -178.21 2.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.764 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.55 30.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.804 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -64.63 142.33 45.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -141.01 -174.65 14.21 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.838 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -110.77 112.4 24.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 HD12 ' A' ' 18' ' ' LEU . 11.4 m -117.41 -178.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.975 0.417 . . . . 0.0 111.558 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -115.32 153.98 47.5 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.005 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.69 90.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.099 . . . . 0.0 112.36 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.46 4.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.54 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -92.85 -138.38 8.61 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.548 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 83' ' ' MET . 63.5 p -162.05 130.97 4.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -129.09 132.08 47.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.961 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -104.73 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 HD22 ' A' ' 18' ' ' LEU . 1.4 m -107.89 153.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.7 p -142.94 165.14 28.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 112.042 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 43.0 t -144.33 111.29 5.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.906 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.57 109.87 18.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.266 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.638 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -90.84 169.74 10.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.32 107.35 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.01 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.64 -25.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.904 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' HD1' ' N ' ' A' ' 28' ' ' THR . 6.6 p90 -152.31 -166.94 2.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 111.202 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.473 ' N ' ' HD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -115.14 143.87 44.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.781 ' HB3' ' HD2' ' A' ' 72' ' ' ARG . 17.2 m-85 -70.29 -40.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.882 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.23 30.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 29' ' ' PHE . 29.4 t -150.71 -34.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.36 155.44 22.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.92 134.38 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.765 ' HE1' HD13 ' A' ' 4' ' ' LEU . 2.1 mmm -133.54 166.32 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB3' HD11 ' A' ' 104' ' ' LEU . . . -156.83 164.87 37.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 112.334 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.511 ' NE1' ' HG ' ' A' ' 79' ' ' LEU . 13.5 m95 -113.92 114.17 25.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.277 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.05 HG13 HD12 ' A' ' 104' ' ' LEU . 4.6 m -104.96 165.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 45' ' ' LEU . 2.1 ttp180 -144.16 151.59 39.74 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 111.042 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 45' ' ' LEU . 27.0 tt0 -142.98 105.55 4.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.453 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.602 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 4.8 tp . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -142.41 133.68 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.627 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.686 ' HA ' HG12 ' A' ' 37' ' ' VAL . 15.7 t90 -76.96 108.94 10.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG12 ' OG ' ' A' ' 49' ' ' SER . 14.7 t -80.95 -53.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.809 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.682 ' OG ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -142.18 153.08 43.76 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.579 ' HB ' ' CZ2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -138.76 134.47 33.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.333 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -114.13 142.22 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' SER . 4.7 t-20 -107.29 134.22 20.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.7 137.53 16.23 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.48 -100.87 1.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.702 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.229 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.64 7.51 2.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.717 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 52' ' ' ASN . 17.1 m -51.63 113.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.778 0.323 . . . . 0.0 110.522 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.22 144.99 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 112.073 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -134.69 140.82 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.838 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.531 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 15.9 m-85 -128.72 172.33 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.07 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -76.33 16.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER 75.55 -56.33 0.61 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.592 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -79.82 16.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.273 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 61' ' ' ALA . 4.4 m -145.23 1.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -56.44 -42.05 77.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 20.94 32.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.641 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 64' ' ' VAL . 2.2 tpp85 -112.4 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.61 ' HB3' HD11 ' A' ' 81' ' ' LEU . 77.9 m-85 -104.35 155.92 18.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 36.9 m -121.36 118.02 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.701 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 49' ' ' SER . 0.5 OUTLIER -100.74 118.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.481 0.658 . . . . 0.0 111.097 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -143.72 165.34 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.389 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.781 ' HD2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -161.51 170.38 20.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.247 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -100.51 139.9 35.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.838 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.68 2.23 17.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.57 69.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -167.64 -16.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.85 66.88 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -159.38 148.3 18.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.622 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.549 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 15.4 tp -121.66 114.31 20.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.394 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 30.1 m-85 -105.01 156.66 17.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.457 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 69' ' ' THR . 9.2 tp -148.47 139.49 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.364 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -103.85 118.23 36.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.535 ' SD ' HG11 ' A' ' 113' ' ' VAL . 3.5 mtt -95.42 92.23 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.14 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 162.92 16.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.41 54.56 8.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.612 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.8 mm? -66.3 160.56 24.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.001 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.24 45.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m 61.62 9.7 2.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -99.52 -41.46 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' HD12 ' A' ' 86' ' ' LEU . 10.1 t0 -58.61 -23.68 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.63 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 114' ' ' THR . 62.6 m -60.31 95.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.286 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HB3' ' HG3' ' A' ' 38' ' ' ARG . . . -175.06 -163.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 9.6 t -112.48 126.09 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.231 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.638 ' O ' HG22 ' A' ' 111' ' ' THR . 12.1 m-85 -107.29 146.95 30.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.277 0.56 . . . . 0.0 112.244 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.48 164.78 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.94 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.688 ' O ' HD12 ' A' ' 4' ' ' LEU . 9.1 p -120.98 138.4 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.891 ' HB3' HD13 ' A' ' 104' ' ' LEU . . . -150.69 165.35 33.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.206 0.527 . . . . 0.0 111.986 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.546 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 26.2 ttmt -88.37 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.036 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 130.13 35.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 m -143.49 57.79 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.2 -85.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 7.57 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.72 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.62 156.9 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.05 HD12 HG13 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -97.71 149.49 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -97.33 -32.03 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.618 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.43 111.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.914 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 2.1 m0 -126.61 4.44 6.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.375 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -69.79 174.61 35.85 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.667 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' H ' ' H ' ' A' ' 6' ' ' ALA . 8.4 mm-40 -77.33 -55.04 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.079 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.96 96.97 0.74 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.788 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 94' ' ' TYR . 3.1 t -86.01 122.37 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.63 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -84.45 102.55 12.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.398 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 18' ' ' LEU . 86.1 t -108.41 128.81 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.418 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 91' ' ' THR . 13.2 m -135.74 150.78 49.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 0.0 112.028 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.89 128.51 73.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.76 139.86 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.235 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.0 OUTLIER -117.48 158.6 24.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 4.8 mt-30 -126.67 112.66 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -96.51 137.96 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.746 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 1.5 t -162.48 -176.31 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.8 1.51 52.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.67 153.17 41.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.264 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.39 -174.27 23.51 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.354 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 125.61 50.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.649 -0.276 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG21 HD22 ' A' ' 86' ' ' LEU . 3.8 m -124.84 -174.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 111.628 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.15 147.47 44.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.833 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.83 91.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.229 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.08 22.41 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.545 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.76 -134.77 7.69 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.644 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.74 130.11 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.519 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -128.03 158.33 38.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.33 104.41 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' CH2' ' A' ' 36' ' ' TRP . 4.2 m -108.7 154.78 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB3' ' CD2' ' A' ' 80' ' ' TYR . 51.9 p -133.26 165.22 25.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.926 0.393 . . . . 0.0 111.807 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' THR . 12.6 t -135.6 116.34 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.91 114.62 25.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.269 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -112.51 170.54 8.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 t -172.6 111.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.36 14.88 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.07 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.06 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.903 0.351 . . . . 0.0 111.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.6 m 65.1 144.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.411 . . . . 0.0 111.403 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 79' ' ' LEU . 3.5 m-85 -89.17 179.06 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.51 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 1.4 p 58.38 14.59 3.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -115.45 -25.48 7.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.54 -178.08 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -97.96 92.48 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.176 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.549 ' HE1' HD13 ' A' ' 4' ' ' LEU . 22.8 mmm -83.59 -178.01 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.765 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -165.55 155.31 12.68 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 10.8 m95 -105.6 116.78 32.53 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.802 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.948 HG13 ' HA ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -101.93 165.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.689 -178.371 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 HH21 ' HG2' ' A' ' 46' ' ' GLU . 2.7 ttp180 -158.91 130.95 6.6 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 17.6 tt0 -116.78 116.46 27.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.103 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.888 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.561 HD23 ' C ' ' A' ' 45' ' ' LEU . 3.5 tt . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.475 0.655 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -150.0 120.51 7.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.185 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.948 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -49.43 -25.88 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.651 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 8.0 t 59.04 -75.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 83.4 p -144.56 153.54 41.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -133.55 143.87 48.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.715 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.1 tt -121.91 149.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.768 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.61 153.53 38.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.644 ' HA ' HH21 ' A' ' 72' ' ' ARG . 38.1 Cg_endo -65.85 135.7 42.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.42 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.66 34.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.1 73.9 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.794 0.331 . . . . 0.0 110.616 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.28 -144.34 10.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.753 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -65.05 -165.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.714 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.53 141.07 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 111.762 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.78 132.2 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.093 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.48 ' CG ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-85 -116.42 179.47 3.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -79.3 13.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.698 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 71.41 -12.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.497 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -110.22 1.51 18.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.429 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -135.58 -1.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.062 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 7.0 tptp -46.82 -57.82 4.52 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.86 37.24 3.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.666 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.29 -65.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 14.9 m-85 -109.76 165.36 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.126 0.488 . . . . 0.0 111.534 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 52.9 m -124.2 117.46 24.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.221 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.31 110.85 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.331 0.586 . . . . 0.0 111.172 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.03 165.41 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.541 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.667 ' HB3' HD12 ' A' ' 79' ' ' LEU . 2.9 ptt180 -151.45 174.4 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.19 177.46 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.572 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 41.51 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.011 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.93 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.21 163.8 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.507 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 2.7 m-20 -95.35 90.69 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.722 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -162.65 163.2 27.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.407 0.622 . . . . 0.0 112.395 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' A' ' 29' ' ' PHE . 13.9 tp -138.58 126.6 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 21.1 m-85 -116.03 152.24 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 111.988 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 69' ' ' THR . 4.4 tp -146.75 133.9 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.953 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.52 119.08 38.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.499 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -84.9 100.66 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.48 163.38 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.7 38.03 29.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.8 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 12' ' ' VAL . 1.2 mp -61.51 143.57 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.664 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -135.3 -57.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.667 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 t -173.42 -20.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.664 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 7.4 tt0 -73.39 -39.39 65.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.46 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -51.21 -29.97 15.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.571 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 114' ' ' THR . 35.5 m -60.71 90.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.5 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.58 -171.06 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 7.7 t -97.52 149.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.645 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.543 ' HB2' HG23 ' A' ' 111' ' ' THR . 27.7 m-85 -124.16 126.41 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 111.999 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.487 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 22.5 m-85 -107.45 167.85 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.093 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 p -137.62 138.39 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -164.48 165.94 20.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 5.1 ttmt -93.53 142.25 27.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.602 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -84.94 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -162.09 130.85 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.52 -9.93 60.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.14 9.17 42.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.431 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.97 137.97 22.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 37' ' ' VAL . 11.1 tp -79.39 156.51 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.576 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -110.99 -34.2 6.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.467 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.61 96.74 0.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.921 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.576 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.2 m0 -113.77 2.72 15.26 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 153.12 40.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.455 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -65.6 -27.99 68.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.47 110.4 2.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.746 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -102.97 133.44 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.076 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -84.79 107.35 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.718 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.2 t -112.36 137.76 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.288 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 91' ' ' THR . 47.8 m -142.29 154.28 44.59 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG13 HG23 ' A' ' 12' ' ' VAL . 5.9 t -125.61 121.88 61.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.78 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt0 -126.4 157.28 38.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.395 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -132.43 174.97 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -178.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 117.35 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -109.92 139.69 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.331 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.576 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 3.9 t -168.33 -179.21 3.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.92 -8.3 33.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.24 172.12 22.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.47 39.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.937 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -97.9 117.92 33.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.751 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 18' ' ' LEU . 8.3 m -117.65 -174.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -116.36 148.68 42.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.053 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.03 91.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.508 2.138 . . . . 0.0 112.478 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.66 18.28 4.46 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.806 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.613 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -91.78 -139.69 8.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.378 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.62 126.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HG13 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.17 132.5 43.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 111.428 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 19' ' ' ARG . 5.4 ttm180 -104.79 106.8 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.29 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG23 ' CH2' ' A' ' 36' ' ' TRP . 2.3 m -105.53 149.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.109 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 4.2 p -129.88 165.72 21.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.818 0.342 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 52.4 t -149.46 114.72 5.48 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.508 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.85 179.61 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.557 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -164.18 150.75 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.392 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.87 131.76 44.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.43 -33.44 2.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.64 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 2' ' ' VAL . 33.5 p90 -150.96 -175.02 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 1.3 m -72.53 -116.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.507 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 0.3 OUTLIER -177.52 -54.9 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 1.1 m -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.472 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -50.25 -22.68 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -107.82 163.02 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.494 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.619 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -96.76 104.02 15.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.117 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.3 mmt -93.03 160.01 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.264 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.665 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -149.78 147.04 27.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.899 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 79' ' ' LEU . 45.9 m95 -104.2 107.27 18.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.887 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.082 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.2 m -103.65 165.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.42 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.64 150.78 36.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.953 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 12.0 tt0 -126.37 113.7 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 106' ' ' ALA . 13.6 tp . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 121.117 0.484 . . . . 0.0 111.417 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.846 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 8.1 tp10 -114.19 139.17 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 1.082 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -65.49 -25.57 67.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.846 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 17.5 t 56.58 -77.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.5 m -125.39 146.35 49.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.223 0.824 . . . . 0.0 113.223 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.505 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -142.16 134.07 27.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.807 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 tt -116.54 141.58 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.528 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -114.74 130.16 24.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 30' ' ' SER . 72.3 Cg_endo -74.79 176.16 10.2 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.556 2.171 . . . . 0.0 112.665 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.14 -70.43 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.821 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -76.62 -76.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.65 0.262 . . . . 0.0 111.237 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.74 -5.1 4.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.055 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.5 m -59.71 -178.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.715 0.293 . . . . 0.0 110.69 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.02 157.99 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HD1' HG22 ' A' ' 50' ' ' THR . 4.3 m-85 -136.13 121.91 19.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.294 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.665 ' HB3' HG23 ' A' ' 64' ' ' VAL . 28.4 m-85 -120.81 162.67 19.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -73.85 9.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.16 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 15.6 m-20 75.79 -43.5 0.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t -80.97 7.64 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.459 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' A' ' 60' ' ' TYR . 1.6 m -126.68 -8.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.139 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.87 128.3 35.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.167 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.32 -21.43 10.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.589 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.462 ' CZ ' ' HE2' ' A' ' 87' ' ' LYS . 8.0 tpp180 -79.06 -63.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 81' ' ' LEU . 17.8 m-30 -111.79 152.54 27.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.167 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.693 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 37.2 m -118.29 118.3 31.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.202 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -101.02 124.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.62 -179.257 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -135.09 165.67 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.985 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 3.9 ttp180 -146.17 163.29 35.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.996 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 6.4 t70 -113.61 131.17 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -88.41 31.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.79 16.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.709 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -170.9 167.25 7.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -99.77 78.62 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -152.27 142.9 22.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.961 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -109.71 144.9 37.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.237 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -132.3 149.28 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.46 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.8 tp -153.18 135.12 14.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.078 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.47 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 6.9 tp-100 -103.57 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.459 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -87.27 96.32 10.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.31 166.71 12.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.62 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.7 44.22 26.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.3 mm? -60.86 146.68 45.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HE2' ' CZ ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.38 51.21 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m 65.54 3.04 2.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HG3' HH12 ' A' ' 38' ' ' ARG . 0.3 OUTLIER -92.92 -36.99 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 110.189 179.682 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 86' ' ' LEU . 4.5 t70 -66.9 -18.96 65.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.827 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.6 m -61.44 95.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.619 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -177.34 -167.6 0.17 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.065 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 21.7 t -109.22 125.01 66.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.989 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 111' ' ' THR . 18.2 m-85 -104.78 141.36 36.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.466 0.65 . . . . 0.0 112.657 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -134.97 165.49 25.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.641 178.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.721 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -129.39 142.36 50.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.587 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -153.25 165.22 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.45 144.03 28.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.367 179.592 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.619 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.01 149.15 23.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.015 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -43.22 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.798 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.94 -79.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -133.34 3.38 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.638 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.91 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.615 0.245 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 35' ' ' ALA . 13.3 tp -110.48 158.24 18.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.058 0.456 . . . . 0.0 111.432 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.665 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -98.18 -11.99 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.233 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.654 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . 76.52 -56.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.665 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 48.8 m0 44.53 -151.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.649 0.261 . . . . 0.0 111.209 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.6 169.45 17.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.462 ' H ' ' H ' ' A' ' 6' ' ' ALA . 31.3 mt-30 -84.56 -39.24 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.092 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 113.37 93.45 2.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.946 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.4 t -86.12 127.44 34.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 110.4 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -84.85 108.86 17.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.529 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 133.13 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 91' ' ' THR . 2.5 m -139.63 154.87 47.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.449 . . . . 0.0 111.801 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.43 141.11 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 111.194 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.43 ' HB ' ' CZ3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.066 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 136.42 54.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.836 HD13 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -110.36 165.64 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.141 0.496 . . . . 0.0 111.894 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -143.41 87.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.981 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.523 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -84.79 138.62 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.059 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.77 165.68 14.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.469 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.98 26.78 3.42 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -85.29 124.55 6.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.671 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.99 -174.51 16.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.602 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.67 124.11 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -130.54 -174.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.528 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 155.19 46.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.744 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.91 92.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.325 2.017 . . . . 0.0 112.386 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 12.12 5.78 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.747 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 -135.44 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -164.88 134.52 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -133.93 146.75 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.728 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -124.81 109.39 13.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG22 ' HB3' ' A' ' 81' ' ' LEU . 4.5 m -109.61 159.09 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -139.97 165.23 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.566 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.56 111.08 5.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.88 132.4 33.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.358 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -135.44 170.59 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.18 137.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.56 2.08 6.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.799 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.9 -12.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.289 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.535 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 36.8 m 65.14 141.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.656 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 2.5 m-85 -83.16 -174.85 5.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.71 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 t 54.58 25.49 6.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.35 -28.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -116.0 162.62 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.501 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -84.91 139.81 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.497 ' HB3' ' HE2' ' A' ' 34' ' ' MET . 28.5 mmm -137.95 175.25 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.688 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -163.94 150.71 11.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.139 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 14.7 m95 -105.1 107.26 18.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.617 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.037 HG12 ' HA ' ' A' ' 47' ' ' TRP . 3.6 m -101.95 164.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.999 0.428 . . . . 0.0 111.737 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.0 ttp180 -140.29 151.4 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.013 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.587 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 16.8 tt0 -133.32 113.73 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.666 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 37' ' ' VAL . 12.4 tp . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 121.204 0.526 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.2 tt0 -153.07 130.46 11.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.894 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 1.037 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -61.1 -27.6 68.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.028 HG22 HG11 ' A' ' 64' ' ' VAL . 2.5 t 56.57 -78.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.675 ' N ' HG12 ' A' ' 48' ' ' VAL . 5.9 m -126.02 147.14 49.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.543 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -139.71 128.91 23.86 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.069 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.451 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 2.9 tt -120.88 142.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.016 0.436 . . . . 0.0 111.575 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.668 HD21 ' H ' ' A' ' 57' ' ' SER . 34.8 p-10 -96.69 148.1 33.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.721 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.49 -73.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.547 2.164 . . . . 0.0 112.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.7 -174.04 44.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.092 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.95 -80.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.26 . . . . 0.0 111.27 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.474 ' H ' HD21 ' A' ' 52' ' ' ASN . . . 131.02 1.94 4.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.453 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.668 ' H ' HD21 ' A' ' 52' ' ' ASN . 3.0 t -53.41 118.19 3.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.731 0.3 . . . . 0.0 110.69 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.98 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.575 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 50' ' ' THR . 4.5 m-85 -140.12 124.89 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.575 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 57.6 m-85 -125.23 164.89 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 13.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 76.0 -48.3 0.58 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.36 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -80.65 13.7 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.803 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.028 HG11 HG22 ' A' ' 48' ' ' VAL . 12.5 m -139.08 14.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -76.9 -64.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.189 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.81 33.66 2.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' HA ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -145.2 -55.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.704 0.288 . . . . 0.0 111.384 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 82' ' ' GLN . 20.7 m-30 -106.47 124.98 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 111.97 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.745 ' HB ' ' HB3' ' A' ' 82' ' ' GLN . 6.2 m -104.98 134.25 48.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.115 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.5 OUTLIER -103.5 127.38 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.261 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 p -158.2 133.59 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.7 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HD2' ' HD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -118.53 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.999 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -104.57 128.92 52.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 141.84 43.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.92 29.96 19.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.0 tmtt? -138.76 -155.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.934 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.535 ' OD1' ' HA ' ' A' ' 28' ' ' THR . 2.9 m120 -149.43 72.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.73 149.45 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.877 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 96' ' ' CYS . 23.8 tp -125.24 125.61 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.583 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -113.07 154.45 26.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.209 0.528 . . . . 0.0 112.099 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 82' ' ' GLN . 2.2 tm? -135.47 141.59 45.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.663 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.754 ' N ' HD13 ' A' ' 81' ' ' LEU . 14.8 tp60 -108.43 104.35 13.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.441 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.519 ' SD ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -89.32 84.95 6.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.108 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -115.65 169.12 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.545 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.74 26.07 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.947 0.403 . . . . 0.0 110.455 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.22 148.43 14.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.161 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.582 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -159.61 61.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 63.9 1.99 1.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' HB3' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -98.38 -23.93 15.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.441 . . . . 0.0 110.317 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CG ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 -80.53 -21.31 41.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.827 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 114' ' ' THR . 27.1 m -59.21 90.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.378 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.49 179.03 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 18.5 t -88.45 145.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.227 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 20.5 m-85 -125.5 128.95 48.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 111.506 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 37' ' ' VAL . 1.5 m-85 -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.87 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.836 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.67 141.06 37.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.419 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.704 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -161.67 167.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 3.9 tttt -83.15 139.23 33.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.805 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 144.93 29.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.221 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.87 -31.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.89 -94.64 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.84 -14.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.0 128.41 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.624 0.249 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.728 HD23 HG13 ' A' ' 37' ' ' VAL . 11.8 tp -74.6 149.07 40.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.073 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -89.63 -35.43 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.871 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.29 89.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.073 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.581 ' HB2' HD12 ' A' ' 4' ' ' LEU . 1.1 m0 -98.76 -16.9 18.76 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.171 0.51 . . . . 0.0 110.534 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.522 ' CA ' ' HB2' ' A' ' 4' ' ' LEU . . . -52.85 170.97 0.56 Allowed Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.997 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.523 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -72.86 -36.5 67.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 111.395 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.16 109.61 3.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.602 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 4.2 t -90.41 130.32 36.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -89.78 105.25 17.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 18' ' ' LEU . 96.2 t -107.84 138.44 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 91' ' ' THR . 8.1 m -137.59 151.88 48.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.244 0.545 . . . . 0.0 112.224 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 t -126.25 109.65 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.366 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.511 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.22 141.02 52.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.133 179.446 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.9 HD22 ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -114.61 177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.295 -178.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -142.57 121.07 12.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.692 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -101.68 133.22 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -132.59 161.62 33.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.181 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.27 -119.1 3.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.036 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.06 100.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.694 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -117.67 -175.51 17.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.88 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.52 107.7 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.48 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG21 ' HG ' ' A' ' 86' ' ' LEU . 2.9 m -123.13 164.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.222 0.534 . . . . 0.0 111.675 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 156.41 38.07 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.925 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.91 90.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.266 1.977 . . . . 0.0 112.256 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.68 -8.27 3.94 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.04 -131.18 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.582 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -175.03 149.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -136.81 149.62 47.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.626 ' HE ' HE22 ' A' ' 82' ' ' GLN . 17.6 ttm180 -128.63 104.73 7.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -105.82 161.81 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -140.02 165.36 27.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.34 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 37.2 t -154.77 105.22 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -84.62 107.32 16.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.9 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.88 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.3 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -122.53 121.73 37.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.99 -48.47 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.606 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.404 ' HZ ' ' SD ' ' A' ' 34' ' ' MET . 44.9 p90 -132.52 -171.39 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -118.9 142.16 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.393 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' HE2' HD13 ' A' ' 79' ' ' LEU . 5.4 m-85 -76.01 -169.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.293 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t 57.58 18.44 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 53' ' ' PRO . 40.2 t -151.54 -22.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -107.51 -179.06 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -117.86 103.51 10.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.633 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 27' ' ' PHE . 24.7 mmm -108.51 179.7 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.789 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -163.55 159.57 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.762 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD1' ' HB2' ' A' ' 81' ' ' LEU . 18.0 m95 -104.46 139.93 38.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.537 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.4 m -127.25 165.44 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.215 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.751 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 15.0 ttp180 -143.27 149.26 37.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.81 ' HB2' HD13 ' A' ' 45' ' ' LEU . 46.5 tt0 -146.77 119.93 8.87 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.176 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.063 0.458 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -160.49 126.12 3.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.451 -179.616 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.704 ' HA ' HG12 ' A' ' 37' ' ' VAL . 11.6 t90 -74.0 110.48 8.32 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.99 HG12 HG11 ' A' ' 64' ' ' VAL . 1.1 m -84.61 -58.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.4 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -130.83 155.87 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.406 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -139.08 133.63 31.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.834 178.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.757 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.8 tt -120.52 149.25 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.648 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -99.56 158.49 32.07 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HB2' ' H ' ' A' ' 54' ' ' GLY . 67.1 Cg_exo -51.09 -83.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.822 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' H ' ' HB2' ' A' ' 53' ' ' PRO . . . -113.79 -0.93 24.35 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.92 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -56.41 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.02 -24.31 25.33 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.92 146.66 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.85 145.99 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.461 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -131.42 140.52 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.592 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 13.2 m-85 -126.36 169.52 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -74.5 12.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.317 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 74.7 -31.36 0.21 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.429 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 61' ' ' ALA . 46.2 m -96.57 9.82 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.554 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.99 HG11 HG12 ' A' ' 48' ' ' VAL . 2.7 m -139.02 -3.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.277 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 5.8 tptp -59.5 123.03 15.51 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.58 -24.54 7.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.141 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 13.6 tpp180 -67.99 -55.53 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.128 0.49 . . . . 0.0 110.447 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 21.7 m-30 -113.74 165.17 12.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.953 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.6 m -125.38 120.98 32.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.379 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.757 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -102.67 118.73 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.493 0.663 . . . . 0.0 111.269 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -151.43 159.06 44.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.255 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.64 169.0 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.83 144.06 26.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 10.6 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.75 2.59 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.82 157.86 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -83.63 74.51 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -138.45 152.81 48.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.614 -179.535 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 72' ' ' ARG . 19.4 tp -124.33 124.62 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.093 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -114.86 161.79 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.354 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -156.66 135.96 12.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.853 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.626 HE22 ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -104.37 110.9 23.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.313 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.623 ' HB3' HD11 ' A' ' 86' ' ' LEU . 2.0 mtt -84.01 101.81 12.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -101.34 166.62 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 t 70.47 -71.77 0.12 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.051 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.636 ' HG ' HG21 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 61.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.28 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' HG3' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -172.08 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.987 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.493 ' H ' ' HG3' ' A' ' 87' ' ' LYS . 20.6 m -151.07 -44.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.545 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 9.1 pt-20 -58.99 -30.52 68.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.221 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 115' ' ' VAL . 32.5 t70 -62.94 -28.84 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.633 HG23 ' HA ' ' A' ' 114' ' ' THR . 4.8 m -67.61 89.73 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.787 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . . . -172.36 170.73 4.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 111' ' ' THR . 5.4 t -87.7 125.61 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.877 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 111' ' ' THR . 10.4 m-85 -104.6 150.0 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.119 0.485 . . . . 0.0 111.374 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HD1' HD11 ' A' ' 45' ' ' LEU . 1.1 m-85 -142.46 161.94 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.489 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 14.0 p -113.54 141.93 46.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.963 ' HB3' HD21 ' A' ' 104' ' ' LEU . . . -153.45 165.72 34.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.238 0.542 . . . . 0.0 112.347 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -91.58 152.39 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.858 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.55 115.31 22.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.422 . . . . 0.0 111.115 -179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -59.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.56 -81.22 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.58 10.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -130.21 -9.59 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 111.062 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 97' ' ' ALA . 3.0 tp 61.52 171.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -115.5 -33.62 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.97 117.59 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.217 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -129.65 -134.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.822 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 74.41 177.36 37.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.984 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.692 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.57 -51.67 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 111.05 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.21 99.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.742 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 94' ' ' TYR . 9.0 t -97.51 120.77 38.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.942 0.401 . . . . 0.0 110.695 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.41 116.21 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.557 HG13 HD13 ' A' ' 18' ' ' LEU . 87.9 t -108.62 118.21 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.09 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.633 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -116.97 148.67 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.275 0.56 . . . . 0.0 112.178 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 96.0 t -128.36 133.28 67.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.724 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.092 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.795 HG12 ' HA3' ' A' ' 26' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.968 0.414 . . . . 0.0 111.307 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.87 128.88 47.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.691 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -113.25 -176.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.373 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.659 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 32.2 tt0 -147.32 111.89 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.831 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -94.32 116.65 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.496 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -142.57 146.62 34.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.23 -5.74 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.51 138.39 49.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.393 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.839 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -134.17 -174.14 13.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.477 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.33 109.69 20.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.535 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 86' ' ' LEU . 2.3 m -121.75 -176.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 111.6 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 15' ' ' GLY . 2.4 mp0 -103.54 167.15 10.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.949 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.94 30.9 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.609 2.206 . . . . 0.0 112.72 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -173.14 31.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.364 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.29 -134.02 6.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 t -157.11 146.96 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.668 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 10' ' ' GLY . 8.0 tp -142.55 149.49 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -129.74 108.08 9.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 81' ' ' LEU . 22.2 m -104.81 147.59 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.293 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 p -128.8 166.32 19.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 78' ' ' THR . 3.6 t -147.65 104.87 3.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.23 100.35 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.879 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.66 175.84 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.327 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.5 103.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.795 ' HA3' HG12 ' A' ' 2' ' ' VAL . . . 163.49 -37.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.404 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.42 -175.31 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.65 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -85.13 -106.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -173.81 -62.35 0.02 OUTLIER 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.75 0.309 . . . . 0.0 111.261 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.2 t -62.78 -10.29 12.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -17.79 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.72 169.79 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 28.6 m80 -111.0 95.78 5.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.486 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.498 ' HE1' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -87.52 166.45 14.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 111.907 -178.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -160.02 155.55 25.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.7 ' HE1' HD22 ' A' ' 79' ' ' LEU . 23.0 m95 -104.98 148.19 26.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.828 ' CG2' HD23 ' A' ' 104' ' ' LEU . 1.1 t -123.3 165.41 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.574 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 25.7 ttp180 -157.49 137.69 12.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.841 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.2 tt0 -126.76 114.45 17.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.292 179.087 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 121.217 0.532 . . . . 0.0 111.323 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.83 134.42 14.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.492 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.684 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 1.1 t90 -71.87 111.76 7.39 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG12 HG11 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -79.64 -56.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.479 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.522 ' C ' ' HE1' ' A' ' 47' ' ' TRP . 0.7 OUTLIER -131.59 154.49 48.81 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.434 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 1.1 m -138.81 141.65 38.72 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.352 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.416 ' HB ' HG23 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -117.64 140.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.027 0.442 . . . . 0.0 111.651 -179.559 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -109.98 128.85 24.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.07 153.56 28.69 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.575 2.183 . . . . 0.0 112.636 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.74 -92.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.726 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.1 -44.23 83.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.76 40.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.124 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.86 158.61 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.18 142.1 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.967 0.413 . . . . 0.0 111.52 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.12 136.72 52.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.69 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 12.3 m-85 -127.03 172.42 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.036 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -75.52 16.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 1.1 m-20 76.53 -51.11 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.634 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -83.83 14.48 3.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.652 0.263 . . . . 0.0 111.192 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.712 HG11 HG12 ' A' ' 48' ' ' VAL . 2.0 m -139.99 0.85 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.615 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -53.07 -52.4 58.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.353 . . . . 0.0 110.613 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.49 27.4 20.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.759 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.74 HH21 ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -111.39 -57.0 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 111.075 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 97.3 m-85 -116.55 165.31 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.546 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 m -126.77 125.86 42.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.288 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 1.6 tt -103.2 131.26 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.552 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.19 166.11 34.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.784 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 29.2 ptt180 -160.99 155.97 24.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -100.37 127.97 46.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.98 151.37 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.07 19.01 5.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -138.28 118.46 13.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.3 70.21 4.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 1.5 m -156.09 118.56 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 112.089 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 36' ' ' TRP . 1.4 mt -85.82 143.6 28.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.719 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.419 ' HE1' ' HB ' ' A' ' 78' ' ' THR . 62.4 m-85 -133.18 130.53 39.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 69' ' ' THR . 7.4 tt -127.11 136.78 52.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.606 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.554 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 36.6 tp60 -103.75 104.9 14.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.507 ' SD ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.73 -179.134 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 161.61 15.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.33 43.72 31.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.717 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 12' ' ' VAL . 2.1 mp -60.88 132.32 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.732 ' HG3' ' H ' ' A' ' 89' ' ' GLU . 14.2 ptpt -132.44 -166.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 t -62.21 -16.09 50.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.068 0.461 . . . . 0.0 110.389 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.74 ' HG2' HH21 ' A' ' 67' ' ' ARG . 4.2 tp10 -82.49 -39.63 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.486 ' CG ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -52.61 -28.41 21.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 114' ' ' THR . 96.9 m -63.95 90.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.432 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -170.24 -179.49 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.275 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 38.8 t -97.44 145.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.423 ' HH ' ' HZ ' ' A' ' 68' ' ' PHE . 22.4 m-85 -121.69 147.82 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 111.896 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 45' ' ' LEU . 35.9 m-85 -134.72 167.41 20.89 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.731 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 4.8 p -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.499 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.846 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -165.25 165.93 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.141 0.496 . . . . 0.0 111.913 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.68 151.24 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.983 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.539 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.37 113.26 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 111.222 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.17 10.97 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.42 -61.29 0.57 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.238 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.68 118.89 2.87 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.369 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.62 159.63 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.846 ' HG ' ' HB3' ' A' ' 97' ' ' ALA . 9.9 tp -98.85 156.52 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.038 0.447 . . . . 0.0 111.461 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.652 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 2.2 t0 -97.9 -30.76 12.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.082 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.34 108.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.899 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.652 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.3 m0 -125.74 -10.4 6.71 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 111.005 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' HA3' ' SG ' ' A' ' 96' ' ' CYS . . . -77.26 148.39 34.26 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.174 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.659 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 5.6 mm-40 -51.88 131.96 31.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.291 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.03 98.54 0.72 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.581 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 94' ' ' TYR . 6.1 t -71.8 137.71 47.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -90.65 103.01 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.839 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.503 HG11 ' HE1' ' A' ' 83' ' ' MET . 96.3 t -107.11 129.17 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.895 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 91' ' ' THR . 1.4 m -133.71 162.3 32.33 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 t -131.44 108.73 15.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.814 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.45 141.15 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.618 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -124.27 -174.59 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.745 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 0.7 OUTLIER -152.71 140.72 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 109' ' ' GLN . . . -125.37 164.64 19.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 111.741 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 23.2 t -176.75 169.13 2.53 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.86 13.81 7.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.716 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 144.25 45.7 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.65 176.08 26.67 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.4 OUTLIER -108.9 106.57 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -111.65 -178.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.78 157.59 41.31 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.17 82.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.493 2.129 . . . . 0.0 112.177 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.54 -21.61 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.161 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.52 -136.61 0.17 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.265 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -174.75 136.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -120.66 145.34 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.067 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 5.6 ttm-85 -122.81 107.54 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.541 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.632 HG21 HG21 ' A' ' 111' ' ' THR . 0.4 OUTLIER -103.69 168.45 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.0 111.439 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.502 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.3 p -144.92 165.35 28.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.741 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 35.5 t -144.72 113.31 6.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.382 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 104.82 17.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.096 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -87.51 170.09 11.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.287 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -151.03 125.39 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.703 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.34 -66.55 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.169 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -110.53 178.4 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.627 0.251 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -72.57 -119.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.958 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' HE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -169.7 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.817 ' HA ' HH12 ' A' ' 72' ' ' ARG . 2.8 t -68.98 -18.33 64.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t -82.34 -27.69 32.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -112.75 -168.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.645 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.16 151.45 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.141 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.489 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 1.4 mmt -143.94 163.68 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.219 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -162.92 154.97 18.29 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.553 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.676 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 32.8 m95 -111.66 115.18 28.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.476 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.051 HG12 ' HA ' ' A' ' 47' ' ' TRP . 15.5 m -102.34 163.47 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 8.9 ttp180 -138.64 148.07 43.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.409 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.518 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 24.4 tt0 -138.21 105.27 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HA ' ' CB ' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 46' ' ' GLU . 2.8 tt . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 121.062 0.458 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -160.26 126.17 4.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.22 179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 1.051 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.2 -24.01 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.606 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.813 HG22 HG11 ' A' ' 64' ' ' VAL . 2.6 t 55.99 -76.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 48' ' ' VAL . 60.5 p -134.08 149.03 51.1 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.596 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -134.99 145.12 47.81 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.938 179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.705 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.7 tt -123.92 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 0.0 111.315 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -84.65 144.93 43.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HA ' HH22 ' A' ' 72' ' ' ARG . 10.0 Cg_endo -51.61 121.74 9.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.686 2.257 . . . . 0.0 112.566 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' H ' HH22 ' A' ' 72' ' ' ARG . . . 94.42 20.25 30.28 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.55 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 53.97 64.28 1.89 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.01 -110.24 3.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.592 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -79.92 156.31 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.663 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.31 143.2 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.316 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HD2' HG22 ' A' ' 50' ' ' THR . 2.2 m-85 -132.23 128.19 37.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.549 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.671 ' HD2' HG23 ' A' ' 64' ' ' VAL . 13.2 m-85 -118.91 165.97 13.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -78.81 14.01 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.496 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 73.04 -27.93 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -89.72 -10.22 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.778 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.813 HG11 HG22 ' A' ' 48' ' ' VAL . 35.5 m -124.59 13.01 4.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 13.1 tptt -84.55 121.92 28.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.5 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.35 -11.1 65.36 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.853 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.511 ' H ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -108.23 -49.32 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.96 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 16.2 m-30 -104.89 152.31 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.109 0.48 . . . . 0.0 111.59 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 87.4 m -123.75 119.15 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.491 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.705 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.99 120.3 52.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.52 166.41 33.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.341 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.817 HH12 ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -159.16 -178.68 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.429 -179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.72 179.43 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -125.29 14.74 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.44 51.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -8.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.319 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.99 73.37 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -161.87 157.29 23.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 111.895 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.676 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -125.79 123.64 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.757 179.131 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 71.1 m-85 -118.44 125.83 50.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.611 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -125.54 138.24 53.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -104.47 106.61 17.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 9.2 mtt -82.96 87.36 6.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -105.03 170.3 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.024 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.97 53.32 12.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' CB ' ' A' ' 90' ' ' ASP . 1.6 mp -72.09 168.91 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.508 ' HE2' ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -162.32 -49.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.621 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.85 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.508 ' HG2' ' HE2' ' A' ' 87' ' ' LYS . 8.4 pt-20 -60.03 -17.61 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.202 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -74.25 -32.79 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 179.71 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.642 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.1 m -63.79 92.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.853 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.39 -166.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.032 0.444 . . . . 0.0 111.489 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.32 126.96 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.746 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 22.3 m-85 -109.19 137.87 46.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HD1' HG23 ' A' ' 37' ' ' VAL . 1.3 m-85 -124.24 165.37 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -130.02 143.01 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -163.08 165.54 24.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.259 0.552 . . . . 0.0 112.208 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -87.33 141.13 28.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.436 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.86 171.43 13.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.21 -47.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -127.41 -83.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.54 -6.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.697 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.02 157.82 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 8.9 tp -98.45 154.54 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.714 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.9 OUTLIER -98.3 -35.58 10.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.233 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.17 111.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.901 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.714 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -132.07 -0.01 3.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -95.61 148.54 19.02 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.818 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.745 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -53.66 133.94 41.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.79 113.98 4.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.274 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.632 HG21 HG21 ' A' ' 20' ' ' VAL . 6.3 t -71.19 129.88 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.98 97.29 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -104.7 124.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.861 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.642 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.1 OUTLIER -124.38 160.69 27.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.749 -179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.56 101.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.641 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 27' ' ' PHE . 33.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.873 0.368 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.48 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.99 144.35 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.627 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -129.76 177.17 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.3 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.447 ' HA ' ' HA2' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -145.12 121.7 11.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.526 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -100.04 145.77 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.466 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.663 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 12.3 t -169.1 179.27 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.635 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.12 -19.08 41.34 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.646 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.23 162.36 1.35 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.655 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' N ' HD11 ' A' ' 18' ' ' LEU . . . -169.95 -173.77 37.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.859 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.617 ' HA ' ' O ' ' A' ' 114' ' ' THR . 15.4 mt -97.66 127.39 43.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 86' ' ' LEU . 1.9 m -112.42 -174.69 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.599 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -107.73 123.26 38.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.208 178.513 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.14 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.25 2.633 . . . . 0.0 113.231 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 15.15 9.59 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.359 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.61 -133.45 7.88 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.73 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -159.18 158.36 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -153.37 124.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.371 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -104.78 121.51 43.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 83' ' ' MET . 3.2 m -116.4 162.29 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 58.0 p -138.27 161.0 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.372 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 78' ' ' THR . 50.0 t -133.61 113.79 12.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.245 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.29 91.63 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -93.23 175.51 6.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.733 ' HA ' HD22 ' A' ' 77' ' ' ASN . 0.5 OUTLIER 179.52 114.94 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.647 0.261 . . . . 0.0 111.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.88 0.42 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.755 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.671 ' HB3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -154.64 -24.55 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.522 0.661 . . . . 0.0 112.393 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.497 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 5.0 m 61.8 161.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 111.56 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 31' ' ' SER . 1.3 m-85 -105.25 -160.05 0.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.808 ' HA ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER 66.62 -7.24 0.46 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.021 -179.677 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 29' ' ' PHE . 38.2 m -134.04 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.785 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.57 171.16 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.259 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.87 132.67 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.313 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.504 ' HE1' HD13 ' A' ' 4' ' ' LEU . 1.1 mmt -126.91 168.81 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -163.57 149.4 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.085 0.469 . . . . 0.0 112.139 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.601 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 20.6 m95 -104.18 109.29 21.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' ' 47' ' ' TRP . 2.3 m -103.01 165.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 5.2 ttp180 -143.36 148.13 35.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.417 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 27.3 tt0 -136.03 113.33 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD21 ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 121.144 0.497 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.685 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -155.71 126.16 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.061 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.06 -26.6 16.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.799 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.685 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 23.6 t 58.52 -77.98 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 48' ' ' VAL . 82.8 p -133.14 148.7 52.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.627 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -133.97 145.56 49.64 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.119 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.58 HG21 ' HD3' ' A' ' 72' ' ' ARG . 4.0 tt -121.72 141.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.405 ' CG ' ' HD2' ' A' ' 53' ' ' PRO . 10.4 t30 -88.49 143.73 32.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.226 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.59 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 76.4 Cg_exo -47.11 135.96 18.43 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.808 ' H ' ' HA ' ' A' ' 30' ' ' SER . . . 91.77 3.46 68.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.66 83.86 0.1 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.11 -90.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 140.83 49.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.714 0.292 . . . . 0.0 110.679 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.39 141.08 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 111.785 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.47 133.55 40.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.24 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.713 ' HB3' HG23 ' A' ' 64' ' ' VAL . 12.6 m-85 -120.27 167.04 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -72.62 12.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' TYR . 22.5 m-20 73.35 -24.57 0.2 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.537 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -98.89 -3.54 35.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -118.35 -1.67 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.275 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 20.8 mmmt -59.71 117.15 4.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.09 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -60.04 3.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.6 m-30 -116.66 165.08 13.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.4 m -127.2 120.73 29.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.575 HG12 ' HB ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -101.81 119.7 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.386 0.612 . . . . 0.0 111.174 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -151.08 165.69 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.026 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -160.71 177.73 10.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.919 0.39 . . . . 0.0 111.189 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.4 -32.24 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.36 -32.4 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -105.76 163.99 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.733 HD22 ' HA ' ' A' ' 25' ' ' SER . 5.4 m-20 -104.28 66.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -140.95 143.98 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 112.028 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 72' ' ' ARG . 11.7 tp -107.33 142.14 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' ' HE1' ' A' ' 36' ' ' TRP . 34.8 m-85 -128.03 154.51 45.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.166 0.507 . . . . 0.0 112.004 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 69' ' ' THR . 3.2 tp -153.1 133.86 13.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.718 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -104.42 106.04 16.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.242 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.493 ' HE1' HG11 ' A' ' 20' ' ' VAL . 1.4 mtt -85.01 93.25 8.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.83 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 17' ' ' SER . 3.3 m-20 -103.55 84.33 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.501 ' H ' HD22 ' A' ' 86' ' ' LEU . 3.5 p -176.39 -93.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' SER . 0.4 OUTLIER 53.07 94.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.186 0.517 . . . . 0.0 110.542 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.12 43.84 2.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.245 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 57.44 17.19 3.66 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.205 0.526 . . . . 0.0 110.212 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -121.52 -34.09 3.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -59.47 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.436 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 114' ' ' THR . 3.8 m 44.07 91.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.44 172.53 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.345 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 111' ' ' THR . 24.4 t -85.76 144.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.175 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.634 ' O ' HG22 ' A' ' 111' ' ' THR . 26.9 m-85 -124.37 138.82 54.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.11 0.481 . . . . 0.0 111.464 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -135.97 165.24 26.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.162 179.497 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.671 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -121.01 137.24 54.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -145.92 160.98 41.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.158 0.504 . . . . 0.0 112.235 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.73 128.33 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.466 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -83.97 149.21 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.35 -59.2 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.12 -33.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.68 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.85 11.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.584 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.13 108.45 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 37' ' ' VAL . 7.5 tp -69.34 165.09 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.59 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -108.41 -27.53 9.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 61.27 109.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.948 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.59 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 4.8 m0 -128.7 -128.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 70.12 176.26 18.11 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.526 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -85.84 -36.8 19.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 107.75 96.43 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.65 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 9.4 t -94.05 135.33 35.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.08 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -84.81 106.03 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.31 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.03 113.62 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.75 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 91' ' ' THR . 23.0 m -133.09 148.07 52.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.893 0.378 . . . . 0.0 111.423 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -107.67 103.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.03 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.607 HG22 ' CZ3' ' A' ' 107' ' ' TRP . 4.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.8 160.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' ' 24' ' ' ALA . 42.4 mt -151.77 155.01 37.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -152.11 93.52 1.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' HG2' ' A' ' 109' ' ' GLN . . . -101.68 141.25 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.465 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -145.3 146.0 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.2 -0.97 2.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.641 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.81 94.13 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.917 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.08 -174.35 22.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.651 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 116' ' ' SER . 1.1 mm? -108.92 120.64 43.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.48 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 86' ' ' LEU . 19.2 m -127.01 -178.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.292 0.568 . . . . 0.0 111.542 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.88 148.95 72.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.453 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 97.4 Cg_exo -45.76 94.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.482 2.121 . . . . 0.0 112.473 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.44 12.12 5.79 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.607 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.45 -143.04 10.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -164.54 112.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB2' HG11 ' A' ' 12' ' ' VAL . 31.7 tp -112.94 148.37 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 19' ' ' ARG . 19.0 ttm180 -128.4 106.85 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 81' ' ' LEU . 11.0 m -103.91 147.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 p -124.78 165.62 17.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.019 0.437 . . . . 0.0 111.761 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -145.31 128.62 16.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.9 132.52 54.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.5 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.82 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -136.18 175.34 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 m -162.81 125.04 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.29 -2.37 1.54 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.163 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -158.27 -13.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.863 0.331 . . . . 0.0 111.47 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m 65.65 144.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 111.58 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 3.2 m-85 -88.82 -176.31 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m 59.59 5.68 0.7 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.627 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -126.74 -22.87 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.074 0.464 . . . . 0.0 110.235 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -117.23 -178.25 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.425 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -93.09 139.65 30.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 98' ' ' LYS . 92.1 mmm -138.4 159.53 41.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -165.12 156.06 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.287 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' HE1' ' HB3' ' A' ' 79' ' ' LEU . 29.2 m95 -106.5 143.0 35.25 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.642 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.836 HG12 ' HA ' ' A' ' 47' ' ' TRP . 19.3 m -126.78 165.78 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.923 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.501 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.6 ttp180 -143.38 151.34 40.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.156 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -133.8 104.27 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.863 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.098 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 45' ' ' LEU . 6.1 tp . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.27 130.82 7.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.467 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.836 ' HA ' HG12 ' A' ' 37' ' ' VAL . 3.3 t90 -81.01 110.18 16.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.954 HG12 HG11 ' A' ' 64' ' ' VAL . 2.0 m -79.45 -60.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.013 0.435 . . . . 0.0 111.716 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.638 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -129.97 152.48 49.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.303 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -129.56 151.47 50.14 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.06 179.209 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.779 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.6 tt -132.41 138.53 52.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.65 111.21 25.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.87 171.06 14.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.561 2.174 . . . . 0.0 112.248 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.46 3.81 90.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -161.48 -63.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.96 -3.99 9.81 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.275 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -58.07 133.53 55.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.806 0.336 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.02 136.15 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.499 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -125.45 134.34 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 4.8 m-85 -116.69 174.29 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 64' ' ' VAL . . . -77.36 11.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.949 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 76.29 -42.54 0.44 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 16.9 7.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.954 HG11 HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -139.34 -5.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.35 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.653 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -66.4 137.91 57.2 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.76 -0.88 48.76 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.069 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -99.09 -65.77 0.94 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.335 0.588 . . . . 0.0 110.235 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -104.73 160.42 14.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 22.8 m -121.8 114.07 20.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.779 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.35 121.26 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.689 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.2 t -158.58 158.0 33.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.667 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.67 174.42 10.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.89 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.98 156.41 18.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.21 29.01 17.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -86.76 82.1 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -151.74 142.09 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.186 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB3' ' HE1' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -121.27 136.23 55.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.421 179.034 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -126.44 140.79 52.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 0.0 111.771 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.0 tp -132.83 130.03 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.37 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.518 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 34.7 tp60 -103.69 105.17 15.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.731 ' HE1' HG21 ' A' ' 113' ' ' VAL . 16.8 mtt -82.64 100.73 10.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 172.46 7.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 m 54.06 47.39 23.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.377 . . . . 0.0 110.763 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.695 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.1 mm? -69.1 154.4 42.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.112 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HG2' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -153.11 -48.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.005 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.572 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -175.46 -49.55 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.991 0.424 . . . . 0.0 111.013 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.04 -20.91 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.626 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.576 ' OD2' HG21 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -62.97 -32.93 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.743 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.836 HG23 ' HA ' ' A' ' 114' ' ' THR . 24.6 m -66.07 101.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.283 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.62 178.9 0.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.5 t -90.49 133.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.836 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.537 ' O ' HG22 ' A' ' 111' ' ' THR . 27.6 m-85 -116.17 154.56 29.82 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.297 0.57 . . . . 0.0 112.384 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.528 ' HD1' HG23 ' A' ' 37' ' ' VAL . 3.6 m-85 -144.63 165.3 28.4 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.183 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.621 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.01 107.66 7.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.222 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.682 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -125.61 169.6 12.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 111.962 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.3 OUTLIER -82.78 139.37 33.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.237 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.554 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.69 166.08 18.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.047 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -127.18 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.97 -21.16 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.809 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 173.14 29.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.833 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.7 142.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.669 0.271 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 37' ' ' VAL . 10.1 tp -89.97 155.31 19.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.945 0.403 . . . . 0.0 111.229 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -101.64 -33.64 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.315 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.96 119.1 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.614 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 5.6 m0 -111.61 -85.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -103.35 -146.44 16.82 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.758 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.615 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 6.9 mt-30 76.75 -132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.239 0.616 . . . . 0.0 111.871 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.508 ' HA2' ' CE2' ' A' ' 95' ' ' TYR . . . 110.29 55.62 0.53 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.9 t -84.17 130.47 34.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 111.345 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -93.08 108.6 20.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.731 HG21 ' HE1' ' A' ' 83' ' ' MET . 79.0 t -104.56 129.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.918 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.836 ' HA ' HG23 ' A' ' 91' ' ' THR . 26.3 m -134.55 145.14 48.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 112.208 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.576 HG21 ' OD2' ' A' ' 90' ' ' ASP . 40.1 t -115.27 112.24 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.967 0.413 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 138.62 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -110.51 161.01 16.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 111.492 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -117.44 108.5 15.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.232 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 134.93 33.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.709 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -162.14 174.09 13.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.34 30.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.79 120.0 19.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.641 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.45 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -125.8 -174.37 13.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.746 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -114.48 128.35 56.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -136.18 -173.18 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.69 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.645 ' N ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -129.31 156.93 77.63 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.543 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 73.3 Cg_exo -49.21 106.14 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.383 2.055 . . . . 0.0 112.185 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.18 6.14 27.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.13 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -148.65 7.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.625 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.92 112.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.801 0.334 . . . . 0.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 HD21 ' H ' ' A' ' 10' ' ' GLY . 14.9 tp -122.72 129.55 51.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HB2' HE22 ' A' ' 82' ' ' GLN . 2.3 ttm180 -104.61 116.71 32.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 ' HE1' ' A' ' 83' ' ' MET . 33.3 m -105.69 149.63 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -122.39 164.36 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 0.0 111.535 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -147.96 104.52 3.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.69 166.0 16.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -166.92 158.21 12.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 101.3 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.161 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.99 6.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.044 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -167.88 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.896 0.348 . . . . 0.0 111.803 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 64.06 159.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.52 -164.97 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB2' ' HA ' ' A' ' 74' ' ' ASN . 20.2 t 59.61 14.17 3.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.17 -37.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -106.7 157.2 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 5.1 m-70 -92.17 95.04 9.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.609 ' HE1' HD13 ' A' ' 4' ' ' LEU . 6.1 mmm -84.21 172.11 12.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.698 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -150.51 153.96 36.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.626 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 12.1 m95 -104.29 108.86 20.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.319 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.622 ' CG1' ' HG ' ' A' ' 45' ' ' LEU . 1.4 t -100.7 166.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.458 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.635 ' HG2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -149.51 152.4 35.52 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 112.144 -178.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.699 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 3.5 tt0 -138.3 128.24 25.45 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.802 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.118 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 95' ' ' TYR . 1.2 tp . . . . . 0 CA--C 1.517 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 1.6 tt0 -129.66 122.02 28.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.111 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' HD1' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -55.59 -28.16 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.157 -179.491 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.663 HG13 HG11 ' A' ' 64' ' ' VAL . 37.3 t 55.13 -77.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' N ' HG12 ' A' ' 48' ' ' VAL . 29.5 m -131.05 155.16 47.36 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.521 ' CB ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -146.63 136.19 23.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.887 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.478 HG12 ' NH1' ' A' ' 72' ' ' ARG . 1.6 tt -116.47 140.46 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 111.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -117.1 116.43 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.802 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.47 166.22 26.41 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.57 2.18 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.72 -77.35 1.05 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.652 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.81 -7.53 4.18 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.165 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.26 136.43 48.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.33 157.19 26.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.641 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -131.46 129.93 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.289 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 64' ' ' VAL . 23.5 m-85 -126.6 158.92 35.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.295 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.61 20.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 60' ' ' TYR . 9.3 t70 75.9 -57.07 0.58 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.545 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.05 30.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -148.44 -11.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 7.9 tptt -54.42 -32.57 57.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.95 3.71 22.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.595 ' NE ' ' HE3' ' A' ' 87' ' ' LYS . 2.2 tpp180 -96.42 -65.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.402 . . . . 0.0 110.993 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.683 ' HB3' HD21 ' A' ' 81' ' ' LEU . 67.3 m-85 -109.09 161.01 15.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.218 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 17.7 m -123.36 128.03 49.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.2 OUTLIER -101.2 136.32 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.159 0.504 . . . . 0.0 110.582 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -147.22 161.76 40.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HB3' HH11 ' A' ' 72' ' ' ARG . 1.4 ttp-105 -166.13 142.2 4.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -87.27 142.09 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.563 179.666 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.612 ' HA ' ' HB2' ' A' ' 30' ' ' SER . 0.1 OUTLIER -88.66 46.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.46 -69.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.319 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -79.64 146.15 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.77 84.5 4.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -155.41 156.5 35.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.074 0.464 . . . . 0.0 111.759 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 72' ' ' ARG . 19.8 tp -131.28 126.16 34.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -120.22 150.02 41.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 111.766 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -140.35 142.61 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.241 178.676 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.478 HE22 ' HB2' ' A' ' 19' ' ' ARG . 8.7 tp60 -103.84 107.97 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' ' HD1' ' A' ' 68' ' ' PHE . 12.0 mtt -85.3 99.95 11.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -122.38 170.04 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.49 32.95 21.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.204 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 86' ' ' LEU . 3.1 mp -61.93 127.01 29.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.64 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.613 ' HG2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -116.26 -44.87 2.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.613 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 2.1 t 177.93 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.325 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -22.94 67.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.003 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 86' ' ' LEU . 1.3 m-20 -59.99 -45.62 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 114' ' ' THR . 10.0 m -46.69 99.25 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.025 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . 179.74 174.14 0.86 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.317 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' THR . 25.0 t -92.45 140.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.455 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 111' ' ' THR . 39.9 m-85 -115.88 136.57 52.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 112.663 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.736 ' CE2' HD11 ' A' ' 45' ' ' LEU . 54.9 m-85 -115.82 168.99 9.56 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.848 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HE3' ' A' ' 34' ' ' MET . 2.9 p -142.36 141.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . . . -162.79 166.52 24.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 5.1 tttt -84.79 148.08 26.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.828 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -88.04 134.28 33.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.04 136.02 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.995 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.76 -7.34 55.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.28 -3.46 64.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.62 128.69 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -66.49 149.16 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.804 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' H ' HD13 ' A' ' 104' ' ' LEU . . . 65.85 115.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.722 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -124.44 -130.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.025 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 68.42 176.37 11.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.73 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -95.92 -18.55 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.595 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.13 106.36 2.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.375 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 10.6 t -93.93 132.25 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.76 104.07 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.51 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.507 HG22 ' HA2' ' A' ' 9' ' ' GLY . 76.8 t -114.15 116.77 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.43 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 91' ' ' THR . 1.8 m -129.61 145.11 51.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.9 p -120.62 104.31 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.052 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 t -119.96 116.79 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.268 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.9 tm0? -120.36 138.63 53.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -127.24 166.11 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -134.26 133.93 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.759 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -121.47 150.56 41.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.047 0.451 . . . . 0.0 111.777 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.455 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -171.82 -178.21 2.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.764 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.55 30.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.804 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -64.63 142.33 45.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -141.01 -174.65 14.21 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.838 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -110.77 112.4 24.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 HD12 ' A' ' 18' ' ' LEU . 11.4 m -117.41 -178.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.975 0.417 . . . . 0.0 111.558 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -115.32 153.98 47.5 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.005 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.69 90.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.099 . . . . 0.0 112.36 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.46 4.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.54 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -92.85 -138.38 8.61 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.548 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 83' ' ' MET . 63.5 p -162.05 130.97 4.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -129.09 132.08 47.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.961 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -104.73 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 HD22 ' A' ' 18' ' ' LEU . 1.4 m -107.89 153.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.7 p -142.94 165.14 28.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 112.042 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 43.0 t -144.33 111.29 5.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.906 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.57 109.87 18.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.266 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.638 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -90.84 169.74 10.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.32 107.35 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.01 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.64 -25.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.904 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.473 ' HD1' ' N ' ' A' ' 28' ' ' THR . 6.6 p90 -152.31 -166.94 2.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 111.202 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.473 ' N ' ' HD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -115.14 143.87 44.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.781 ' HB3' ' HD2' ' A' ' 72' ' ' ARG . 17.2 m-85 -70.29 -40.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.882 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.23 30.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 29' ' ' PHE . 29.4 t -150.71 -34.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.36 155.44 22.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.92 134.38 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.765 ' HE1' HD13 ' A' ' 4' ' ' LEU . 2.1 mmm -133.54 166.32 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB3' HD11 ' A' ' 104' ' ' LEU . . . -156.83 164.87 37.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 112.334 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.511 ' NE1' ' HG ' ' A' ' 79' ' ' LEU . 13.5 m95 -113.92 114.17 25.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.277 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.05 HG13 HD12 ' A' ' 104' ' ' LEU . 4.6 m -104.96 165.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 45' ' ' LEU . 2.1 ttp180 -144.16 151.59 39.74 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 111.042 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 45' ' ' LEU . 27.0 tt0 -142.98 105.55 4.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.453 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.698 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -74.21 168.8 23.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.698 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 49.7 Cg_exo -31.8 93.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.849 2.366 . . . . 0.0 112.344 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . 93.41 -91.89 1.55 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 2.0 tttt 41.38 -155.74 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.106 0.479 . . . . 0.0 112.168 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.61 29.98 1.16 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.566 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 4.8 tp 66.55 142.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -142.41 133.68 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.627 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.686 ' HA ' HG12 ' A' ' 37' ' ' VAL . 15.7 t90 -76.96 108.94 10.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG12 ' OG ' ' A' ' 49' ' ' SER . 14.7 t -80.95 -53.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.809 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.682 ' OG ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -142.18 153.08 43.76 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.579 ' HB ' ' CZ2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -138.76 134.47 33.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.333 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -114.13 142.22 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' SER . 4.7 t-20 -107.29 134.22 20.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.7 137.53 16.23 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.48 -100.87 1.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.702 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.229 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.64 7.51 2.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.717 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 52' ' ' ASN . 17.1 m -51.63 113.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.778 0.323 . . . . 0.0 110.522 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.22 144.99 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 112.073 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -134.69 140.82 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.838 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.531 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 15.9 m-85 -128.72 172.33 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.07 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -76.33 16.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER 75.55 -56.33 0.61 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.592 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -79.82 16.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.273 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 61' ' ' ALA . 4.4 m -145.23 1.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -56.44 -42.05 77.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 20.94 32.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.641 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 64' ' ' VAL . 2.2 tpp85 -112.4 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.61 ' HB3' HD11 ' A' ' 81' ' ' LEU . 77.9 m-85 -104.35 155.92 18.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 36.9 m -121.36 118.02 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.701 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 49' ' ' SER . 0.5 OUTLIER -100.74 118.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.481 0.658 . . . . 0.0 111.097 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -143.72 165.34 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.389 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.781 ' HD2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -161.51 170.38 20.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.247 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -100.51 139.9 35.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.838 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.68 2.23 17.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.57 69.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -167.64 -16.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.85 66.88 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -159.38 148.3 18.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.622 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.549 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 15.4 tp -121.66 114.31 20.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.394 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 30.1 m-85 -105.01 156.66 17.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.457 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 69' ' ' THR . 9.2 tp -148.47 139.49 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.364 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -103.85 118.23 36.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.535 ' SD ' HG11 ' A' ' 113' ' ' VAL . 3.5 mtt -95.42 92.23 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.14 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 162.92 16.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.41 54.56 8.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.612 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.8 mm? -66.3 160.56 24.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.001 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.24 45.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m 61.62 9.7 2.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -99.52 -41.46 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' HD12 ' A' ' 86' ' ' LEU . 10.1 t0 -58.61 -23.68 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.63 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 114' ' ' THR . 62.6 m -60.31 95.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.286 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HB3' ' HG3' ' A' ' 38' ' ' ARG . . . -175.06 -163.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 9.6 t -112.48 126.09 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.231 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.638 ' O ' HG22 ' A' ' 111' ' ' THR . 12.1 m-85 -107.29 146.95 30.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.277 0.56 . . . . 0.0 112.244 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.48 164.78 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.94 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.688 ' O ' HD12 ' A' ' 4' ' ' LEU . 9.1 p -120.98 138.4 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.891 ' HB3' HD13 ' A' ' 104' ' ' LEU . . . -150.69 165.35 33.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.206 0.527 . . . . 0.0 111.986 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.546 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 26.2 ttmt -88.37 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.036 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 130.13 35.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 m -143.49 57.79 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.2 -85.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 7.57 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.72 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.62 156.9 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.05 HD12 HG13 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -97.71 149.49 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -97.33 -32.03 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.618 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.43 111.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.914 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 2.1 m0 -126.61 4.44 6.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.375 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -69.79 174.61 35.85 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.667 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' H ' ' H ' ' A' ' 6' ' ' ALA . 8.4 mm-40 -77.33 -55.04 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.079 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.96 96.97 0.74 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.788 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 94' ' ' TYR . 3.1 t -86.01 122.37 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.63 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -84.45 102.55 12.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.398 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 18' ' ' LEU . 86.1 t -108.41 128.81 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.418 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 91' ' ' THR . 13.2 m -135.74 150.78 49.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 0.0 112.028 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.89 128.51 73.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.12 -176.6 4.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.34 143.99 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 56.19 55.83 6.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -129.09 50.95 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -93.92 9.74 36.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 151.65 47.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.402 ' H ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -157.8 -13.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.402 ' H ' ' H ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER 63.33 111.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.578 HG23 ' H ' ' A' ' 125' ' ' SER . 1.4 tp -131.38 -58.74 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.578 ' H ' HG23 ' A' ' 124' ' ' ILE . 0.7 OUTLIER 53.43 42.17 32.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.544 ' H ' HG13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -164.75 16.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.966 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.69 ' HG2' ' HG ' ' A' ' 129' ' ' LEU . 3.1 tt0 61.31 109.04 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.15 -28.8 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.283 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.69 ' HG ' ' HG2' ' A' ' 127' ' ' GLU . 19.5 mt 56.48 -147.24 0.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.566 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -152.7 -59.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 111.073 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.42 29.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.94 9.18 23.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.53 133.82 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 23.09 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.978 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.457 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.725 0.298 . . . . 0.0 111.262 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.457 ' H ' ' HB3' ' A' ' 1' ' ' ASP . 0.2 OUTLIER -50.82 124.16 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.76 139.86 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.235 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.0 OUTLIER -117.48 158.6 24.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 4.8 mt-30 -126.67 112.66 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -96.51 137.96 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.746 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 1.5 t -162.48 -176.31 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.8 1.51 52.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.67 153.17 41.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.264 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.39 -174.27 23.51 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.354 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 125.61 50.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.649 -0.276 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG21 HD22 ' A' ' 86' ' ' LEU . 3.8 m -124.84 -174.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 111.628 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.15 147.47 44.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.833 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.83 91.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.229 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.08 22.41 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.545 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.76 -134.77 7.69 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.644 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.74 130.11 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.519 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -128.03 158.33 38.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.33 104.41 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' CH2' ' A' ' 36' ' ' TRP . 4.2 m -108.7 154.78 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB3' ' CD2' ' A' ' 80' ' ' TYR . 51.9 p -133.26 165.22 25.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.926 0.393 . . . . 0.0 111.807 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' THR . 12.6 t -135.6 116.34 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.91 114.62 25.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.269 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -112.51 170.54 8.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 t -172.6 111.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.36 14.88 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.07 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.06 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.903 0.351 . . . . 0.0 111.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.6 m 65.1 144.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.411 . . . . 0.0 111.403 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 79' ' ' LEU . 3.5 m-85 -89.17 179.06 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.51 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 1.4 p 58.38 14.59 3.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -115.45 -25.48 7.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.54 -178.08 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -97.96 92.48 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.176 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.549 ' HE1' HD13 ' A' ' 4' ' ' LEU . 22.8 mmm -83.59 -178.01 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.765 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -165.55 155.31 12.68 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 10.8 m95 -105.6 116.78 32.53 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.802 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.948 HG13 ' HA ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -101.93 165.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.689 -178.371 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 HH21 ' HG2' ' A' ' 46' ' ' GLU . 2.7 ttp180 -158.91 130.95 6.6 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 17.6 tt0 -116.78 116.46 27.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.103 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . . . -77.57 152.94 81.17 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.888 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.95 -28.1 17.88 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.154 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.4 42.26 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.193 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -142.67 -172.08 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.14 54.02 0.79 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.28 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD23 ' C ' ' A' ' 45' ' ' LEU . 3.5 tt 64.66 153.38 0.06 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.475 0.655 . . . . 0.0 111.021 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -150.0 120.51 7.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.185 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.948 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -49.43 -25.88 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.651 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 8.0 t 59.04 -75.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 83.4 p -144.56 153.54 41.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -133.55 143.87 48.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.715 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.1 tt -121.91 149.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.768 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.61 153.53 38.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.644 ' HA ' HH21 ' A' ' 72' ' ' ARG . 38.1 Cg_endo -65.85 135.7 42.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.42 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.66 34.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.1 73.9 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.794 0.331 . . . . 0.0 110.616 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.28 -144.34 10.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.753 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -65.05 -165.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.714 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.53 141.07 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 111.762 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.78 132.2 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.093 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.48 ' CG ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-85 -116.42 179.47 3.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -79.3 13.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.698 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 71.41 -12.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.497 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -110.22 1.51 18.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.429 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -135.58 -1.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.062 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 7.0 tptp -46.82 -57.82 4.52 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.86 37.24 3.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.666 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.29 -65.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 14.9 m-85 -109.76 165.36 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.126 0.488 . . . . 0.0 111.534 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 52.9 m -124.2 117.46 24.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.221 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.31 110.85 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.331 0.586 . . . . 0.0 111.172 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.03 165.41 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.541 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.667 ' HB3' HD12 ' A' ' 79' ' ' LEU . 2.9 ptt180 -151.45 174.4 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.19 177.46 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.572 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 41.51 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.011 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.93 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.21 163.8 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.507 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 2.7 m-20 -95.35 90.69 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.722 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -162.65 163.2 27.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.407 0.622 . . . . 0.0 112.395 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' A' ' 29' ' ' PHE . 13.9 tp -138.58 126.6 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 21.1 m-85 -116.03 152.24 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 111.988 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 69' ' ' THR . 4.4 tp -146.75 133.9 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.953 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.52 119.08 38.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.499 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -84.9 100.66 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.48 163.38 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.7 38.03 29.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.8 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 12' ' ' VAL . 1.2 mp -61.51 143.57 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.664 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -135.3 -57.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.667 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 t -173.42 -20.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.664 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 7.4 tt0 -73.39 -39.39 65.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.46 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -51.21 -29.97 15.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.571 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 114' ' ' THR . 35.5 m -60.71 90.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.5 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.58 -171.06 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 7.7 t -97.52 149.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.645 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.543 ' HB2' HG23 ' A' ' 111' ' ' THR . 27.7 m-85 -124.16 126.41 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 111.999 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.487 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 22.5 m-85 -107.45 167.85 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.093 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 p -137.62 138.39 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -164.48 165.94 20.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 5.1 ttmt -93.53 142.25 27.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.602 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -84.94 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -162.09 130.85 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.52 -9.93 60.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.14 9.17 42.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.431 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.97 137.97 22.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 37' ' ' VAL . 11.1 tp -79.39 156.51 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.576 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -110.99 -34.2 6.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.467 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.61 96.74 0.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.921 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.576 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.2 m0 -113.77 2.72 15.26 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 153.12 40.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.455 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -65.6 -27.99 68.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.47 110.4 2.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.746 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -102.97 133.44 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.076 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -84.79 107.35 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.718 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.2 t -112.36 137.76 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.288 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 91' ' ' THR . 47.8 m -142.29 154.28 44.59 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG13 HG23 ' A' ' 12' ' ' VAL . 5.9 t -125.61 121.88 61.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.78 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.525 ' HB3' ' H ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -159.7 -117.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.525 ' H ' ' HB3' ' A' ' 116' ' ' SER . 23.7 t 69.62 -13.75 0.38 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 116' ' ' SER . 1.3 pt20 -168.05 166.87 12.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.0 t -66.33 155.78 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.62 97.81 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 -176.63 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -90.0 48.53 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 140.51 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 127' ' ' GLU . 18.4 pt -79.29 8.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 p 57.83 -177.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 55.66 -93.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.506 ' HG3' ' H ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -115.33 128.19 55.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.803 0.335 . . . . 0.0 110.779 179.769 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.59 32.91 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.506 ' H ' ' HG3' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -150.44 -165.75 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.896 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -107.8 -173.07 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -93.85 121.92 35.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.36 135.37 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.61 -178.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.403 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.4 85.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.888 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -80.86 154.67 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt0 -126.4 157.28 38.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.395 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -132.43 174.97 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -178.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 117.35 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -109.92 139.69 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.331 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.576 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 3.9 t -168.33 -179.21 3.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.92 -8.3 33.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.24 172.12 22.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.47 39.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.937 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -97.9 117.92 33.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.751 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 18' ' ' LEU . 8.3 m -117.65 -174.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -116.36 148.68 42.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.053 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.03 91.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.508 2.138 . . . . 0.0 112.478 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.66 18.28 4.46 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.806 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.613 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -91.78 -139.69 8.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.378 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.62 126.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HG13 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.17 132.5 43.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 111.428 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 19' ' ' ARG . 5.4 ttm180 -104.79 106.8 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.29 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG23 ' CH2' ' A' ' 36' ' ' TRP . 2.3 m -105.53 149.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.109 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 4.2 p -129.88 165.72 21.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.818 0.342 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 52.4 t -149.46 114.72 5.48 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.508 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.85 179.61 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.557 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -164.18 150.75 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.392 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.87 131.76 44.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.43 -33.44 2.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.64 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 2' ' ' VAL . 33.5 p90 -150.96 -175.02 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 1.3 m -72.53 -116.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.507 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 0.3 OUTLIER -177.52 -54.9 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 1.1 m -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.472 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -50.25 -22.68 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -107.82 163.02 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.494 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.619 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -96.76 104.02 15.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.117 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.3 mmt -93.03 160.01 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.264 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.665 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -149.78 147.04 27.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.899 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 79' ' ' LEU . 45.9 m95 -104.2 107.27 18.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.887 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.082 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.2 m -103.65 165.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.42 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.64 150.78 36.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.953 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 12.0 tt0 -126.37 113.7 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.51 152.66 43.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.88 97.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.559 2.173 . . . . 0.0 112.381 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.64 36.2 6.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -119.5 -176.07 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.732 0.301 . . . . 0.0 111.089 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.3 18.63 13.67 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.721 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 106' ' ' ALA . 13.6 tp 65.72 124.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.117 0.484 . . . . 0.0 111.417 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.846 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 8.1 tp10 -114.19 139.17 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 1.082 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -65.49 -25.57 67.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.846 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 17.5 t 56.58 -77.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.5 m -125.39 146.35 49.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.223 0.824 . . . . 0.0 113.223 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.505 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -142.16 134.07 27.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.807 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 tt -116.54 141.58 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.528 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -114.74 130.16 24.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 30' ' ' SER . 72.3 Cg_endo -74.79 176.16 10.2 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.556 2.171 . . . . 0.0 112.665 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.14 -70.43 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.821 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -76.62 -76.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.65 0.262 . . . . 0.0 111.237 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.74 -5.1 4.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.055 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.5 m -59.71 -178.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.715 0.293 . . . . 0.0 110.69 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.02 157.99 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HD1' HG22 ' A' ' 50' ' ' THR . 4.3 m-85 -136.13 121.91 19.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.294 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.665 ' HB3' HG23 ' A' ' 64' ' ' VAL . 28.4 m-85 -120.81 162.67 19.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -73.85 9.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.16 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 15.6 m-20 75.79 -43.5 0.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t -80.97 7.64 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.459 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' A' ' 60' ' ' TYR . 1.6 m -126.68 -8.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.139 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.87 128.3 35.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.167 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.32 -21.43 10.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.589 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.462 ' CZ ' ' HE2' ' A' ' 87' ' ' LYS . 8.0 tpp180 -79.06 -63.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 81' ' ' LEU . 17.8 m-30 -111.79 152.54 27.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.167 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.693 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 37.2 m -118.29 118.3 31.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.202 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -101.02 124.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.62 -179.257 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -135.09 165.67 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.985 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 3.9 ttp180 -146.17 163.29 35.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.996 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 6.4 t70 -113.61 131.17 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -88.41 31.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.79 16.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.709 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -170.9 167.25 7.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -99.77 78.62 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -152.27 142.9 22.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.961 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -109.71 144.9 37.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.237 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -132.3 149.28 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.46 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.8 tp -153.18 135.12 14.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.078 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.47 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 6.9 tp-100 -103.57 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.459 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -87.27 96.32 10.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.31 166.71 12.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.62 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.7 44.22 26.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.3 mm? -60.86 146.68 45.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HE2' ' CZ ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.38 51.21 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m 65.54 3.04 2.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HG3' HH12 ' A' ' 38' ' ' ARG . 0.3 OUTLIER -92.92 -36.99 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 110.189 179.682 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 86' ' ' LEU . 4.5 t70 -66.9 -18.96 65.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.827 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.6 m -61.44 95.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.619 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -177.34 -167.6 0.17 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.065 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 21.7 t -109.22 125.01 66.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.989 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 111' ' ' THR . 18.2 m-85 -104.78 141.36 36.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.466 0.65 . . . . 0.0 112.657 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -134.97 165.49 25.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.641 178.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.721 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -129.39 142.36 50.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.587 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -153.25 165.22 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.45 144.03 28.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.367 179.592 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.619 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.01 149.15 23.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.015 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -43.22 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.798 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.94 -79.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -133.34 3.38 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.638 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.91 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.615 0.245 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 35' ' ' ALA . 13.3 tp -110.48 158.24 18.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.058 0.456 . . . . 0.0 111.432 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.665 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -98.18 -11.99 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.233 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.654 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . 76.52 -56.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.665 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 48.8 m0 44.53 -151.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.649 0.261 . . . . 0.0 111.209 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.6 169.45 17.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.462 ' H ' ' H ' ' A' ' 6' ' ' ALA . 31.3 mt-30 -84.56 -39.24 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.092 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 113.37 93.45 2.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.946 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.4 t -86.12 127.44 34.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 110.4 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -84.85 108.86 17.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.529 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 133.13 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 91' ' ' THR . 2.5 m -139.63 154.87 47.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.449 . . . . 0.0 111.801 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.43 141.11 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p -159.49 151.38 20.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 111.194 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.2 109.96 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.593 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 63.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.59 62.94 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.71 21.69 9.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.793 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -140.82 124.45 16.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.0 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.39 175.39 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.06 70.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 127' ' ' GLU . 15.1 mt 54.8 86.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.1 t -94.62 -43.07 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.56 63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.709 ' HB2' HG23 ' A' ' 124' ' ' ILE . 8.4 mm-40 -132.39 -45.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.0 13.64 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 129' ' ' LEU . 1.5 mm? -128.95 -129.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.436 ' HB3' ' H ' ' A' ' 131' ' ' HIS . 1.2 m-20 60.69 -97.85 0.07 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.531 0.205 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.436 ' H ' ' HB3' ' A' ' 130' ' ' ASN . 0.0 OUTLIER -131.21 170.75 14.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.977 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -78.31 -19.58 53.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.704 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 119.38 24.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -84.49 -30.54 25.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' HB ' ' CZ3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -126.08 118.79 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 136.42 54.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.836 HD13 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -110.36 165.64 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.141 0.496 . . . . 0.0 111.894 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -143.41 87.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.981 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.523 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -84.79 138.62 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.059 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.77 165.68 14.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.469 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.98 26.78 3.42 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -85.29 124.55 6.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.671 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.99 -174.51 16.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.602 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.67 124.11 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -130.54 -174.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.528 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 155.19 46.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.744 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.91 92.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.325 2.017 . . . . 0.0 112.386 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 12.12 5.78 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.747 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 -135.44 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -164.88 134.52 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -133.93 146.75 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.728 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -124.81 109.39 13.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG22 ' HB3' ' A' ' 81' ' ' LEU . 4.5 m -109.61 159.09 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -139.97 165.23 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.566 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.56 111.08 5.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.88 132.4 33.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.358 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -135.44 170.59 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.18 137.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.56 2.08 6.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.799 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.9 -12.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.289 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.535 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 36.8 m 65.14 141.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.656 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 2.5 m-85 -83.16 -174.85 5.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.71 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 t 54.58 25.49 6.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.35 -28.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -116.0 162.62 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.501 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -84.91 139.81 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.497 ' HB3' ' HE2' ' A' ' 34' ' ' MET . 28.5 mmm -137.95 175.25 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.688 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -163.94 150.71 11.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.139 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 14.7 m95 -105.1 107.26 18.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.617 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.037 HG12 ' HA ' ' A' ' 47' ' ' TRP . 3.6 m -101.95 164.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.999 0.428 . . . . 0.0 111.737 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.0 ttp180 -140.29 151.4 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.013 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.587 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 16.8 tt0 -133.32 113.73 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.666 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -97.59 157.72 34.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 17.9 Cg_endo -57.89 91.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 32.72 3.36 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.624 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -131.63 158.8 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.79 42.42 2.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 37' ' ' VAL . 12.4 tp 62.85 160.54 0.08 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.204 0.526 . . . . 0.0 111.461 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.2 tt0 -153.07 130.46 11.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.894 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 1.037 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -61.1 -27.6 68.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.028 HG22 HG11 ' A' ' 64' ' ' VAL . 2.5 t 56.57 -78.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.675 ' N ' HG12 ' A' ' 48' ' ' VAL . 5.9 m -126.02 147.14 49.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.543 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -139.71 128.91 23.86 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.069 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.451 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 2.9 tt -120.88 142.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.016 0.436 . . . . 0.0 111.575 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.668 HD21 ' H ' ' A' ' 57' ' ' SER . 34.8 p-10 -96.69 148.1 33.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.721 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.49 -73.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.547 2.164 . . . . 0.0 112.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.7 -174.04 44.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.092 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.95 -80.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.26 . . . . 0.0 111.27 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.474 ' H ' HD21 ' A' ' 52' ' ' ASN . . . 131.02 1.94 4.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.453 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.668 ' H ' HD21 ' A' ' 52' ' ' ASN . 3.0 t -53.41 118.19 3.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.731 0.3 . . . . 0.0 110.69 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.98 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.575 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 50' ' ' THR . 4.5 m-85 -140.12 124.89 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.575 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 57.6 m-85 -125.23 164.89 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 13.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 76.0 -48.3 0.58 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.36 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -80.65 13.7 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.803 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.028 HG11 HG22 ' A' ' 48' ' ' VAL . 12.5 m -139.08 14.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -76.9 -64.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.189 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.81 33.66 2.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' HA ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -145.2 -55.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.704 0.288 . . . . 0.0 111.384 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 82' ' ' GLN . 20.7 m-30 -106.47 124.98 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 111.97 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.745 ' HB ' ' HB3' ' A' ' 82' ' ' GLN . 6.2 m -104.98 134.25 48.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.115 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.5 OUTLIER -103.5 127.38 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.261 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 p -158.2 133.59 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.7 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HD2' ' HD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -118.53 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.999 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -104.57 128.92 52.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 141.84 43.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.92 29.96 19.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.0 tmtt? -138.76 -155.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.934 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.535 ' OD1' ' HA ' ' A' ' 28' ' ' THR . 2.9 m120 -149.43 72.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.73 149.45 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.877 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 96' ' ' CYS . 23.8 tp -125.24 125.61 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.583 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -113.07 154.45 26.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.209 0.528 . . . . 0.0 112.099 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 82' ' ' GLN . 2.2 tm? -135.47 141.59 45.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.663 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.754 ' N ' HD13 ' A' ' 81' ' ' LEU . 14.8 tp60 -108.43 104.35 13.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.441 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.519 ' SD ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -89.32 84.95 6.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.108 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -115.65 169.12 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.545 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.74 26.07 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.947 0.403 . . . . 0.0 110.455 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.22 148.43 14.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.161 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.582 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -159.61 61.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 63.9 1.99 1.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' HB3' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -98.38 -23.93 15.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.441 . . . . 0.0 110.317 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CG ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 -80.53 -21.31 41.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.827 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 114' ' ' THR . 27.1 m -59.21 90.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.378 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.49 179.03 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 18.5 t -88.45 145.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.227 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 20.5 m-85 -125.5 128.95 48.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 111.506 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 37' ' ' VAL . 1.5 m-85 -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.87 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.836 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.67 141.06 37.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.419 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.704 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -161.67 167.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 3.9 tttt -83.15 139.23 33.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.805 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 144.93 29.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.221 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.87 -31.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.89 -94.64 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.84 -14.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.0 128.41 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.624 0.249 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.728 HD23 HG13 ' A' ' 37' ' ' VAL . 11.8 tp -74.6 149.07 40.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.073 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -89.63 -35.43 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.871 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.29 89.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.073 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.581 ' HB2' HD12 ' A' ' 4' ' ' LEU . 1.1 m0 -98.76 -16.9 18.76 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.171 0.51 . . . . 0.0 110.534 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.522 ' CA ' ' HB2' ' A' ' 4' ' ' LEU . . . -52.85 170.97 0.56 Allowed Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.997 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.523 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -72.86 -36.5 67.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 111.395 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.16 109.61 3.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.602 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 4.2 t -90.41 130.32 36.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -89.78 105.25 17.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 18' ' ' LEU . 96.2 t -107.84 138.44 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 91' ' ' THR . 8.1 m -137.59 151.88 48.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.244 0.545 . . . . 0.0 112.224 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 t -126.25 109.65 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.366 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.5 t -120.34 -104.14 0.4 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 p -173.34 58.8 0.02 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.746 0.307 . . . . 0.0 110.719 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 64.41 158.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.059 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.1 p -148.07 -29.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 61.24 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.59 57.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -122.41 117.08 25.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.57 75.94 0.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.222 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 8.8 tt -175.13 148.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.05 -71.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -177.08 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.699 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.15 -162.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.26 113.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.482 ' HB3' ' H ' ' A' ' 130' ' ' ASN . 0.3 OUTLIER 59.58 -147.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.485 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.482 ' H ' ' HB3' ' A' ' 129' ' ' LEU . 7.5 t-20 61.72 14.11 5.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.75 125.09 0.02 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.302 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -56.69 17.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.39 137.8 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -90.32 -48.42 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.742 0.306 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -93.12 138.09 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.832 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.22 141.02 52.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.133 179.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.9 HD22 ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -114.61 177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.295 -178.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -142.57 121.07 12.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.692 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -101.68 133.22 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -132.59 161.62 33.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.181 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.27 -119.1 3.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.036 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.06 100.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.694 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -117.67 -175.51 17.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.88 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.52 107.7 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.48 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG21 ' HG ' ' A' ' 86' ' ' LEU . 2.9 m -123.13 164.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.222 0.534 . . . . 0.0 111.675 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 156.41 38.07 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.925 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.91 90.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.266 1.977 . . . . 0.0 112.256 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.68 -8.27 3.94 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.04 -131.18 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.582 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -175.03 149.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -136.81 149.62 47.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' HE ' HE22 ' A' ' 82' ' ' GLN . 17.6 ttm180 -128.63 104.73 7.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -105.82 161.81 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -140.02 165.36 27.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.34 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 37.2 t -154.77 105.22 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -84.62 107.32 16.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.9 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.88 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.3 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -122.53 121.73 37.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.99 -48.47 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.606 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' HZ ' ' SD ' ' A' ' 34' ' ' MET . 44.9 p90 -132.52 -171.39 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -118.9 142.16 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.393 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' HE2' HD13 ' A' ' 79' ' ' LEU . 5.4 m-85 -76.01 -169.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.293 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t 57.58 18.44 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 53' ' ' PRO . 40.2 t -151.54 -22.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -107.51 -179.06 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -117.86 103.51 10.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.633 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 27' ' ' PHE . 24.7 mmm -108.51 179.7 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.789 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -163.55 159.57 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.762 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD1' ' HB2' ' A' ' 81' ' ' LEU . 18.0 m95 -104.46 139.93 38.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.537 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.4 m -127.25 165.44 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.215 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.751 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 15.0 ttp180 -143.27 149.26 37.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.81 ' HB2' HD13 ' A' ' 45' ' ' LEU . 46.5 tt0 -146.77 119.93 8.87 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . . . 165.57 -54.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.176 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 92' ' ' ALA . 24.6 Cg_exo -63.18 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.007 1.805 . . . . 0.0 110.328 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.61 -5.13 75.34 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.23 -168.27 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-N 114.473 -0.864 . . . . 0.0 111.884 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.67 17.81 43.03 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.271 -0.966 . . . . 0.0 110.77 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 68.15 160.06 0.17 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.969 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -160.49 126.12 3.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.451 -179.616 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.704 ' HA ' HG12 ' A' ' 37' ' ' VAL . 11.6 t90 -74.0 110.48 8.32 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.99 HG12 HG11 ' A' ' 64' ' ' VAL . 1.1 m -84.61 -58.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.4 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -130.83 155.87 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.406 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -139.08 133.63 31.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.834 178.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.757 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.8 tt -120.52 149.25 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.648 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -99.56 158.49 32.07 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HB2' ' H ' ' A' ' 54' ' ' GLY . 67.1 Cg_exo -51.09 -83.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.822 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' H ' ' HB2' ' A' ' 53' ' ' PRO . . . -113.79 -0.93 24.35 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.92 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -56.41 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.02 -24.31 25.33 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.92 146.66 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.85 145.99 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.461 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -131.42 140.52 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 13.2 m-85 -126.36 169.52 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -74.5 12.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.317 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 74.7 -31.36 0.21 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.429 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 61' ' ' ALA . 46.2 m -96.57 9.82 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.554 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.99 HG11 HG12 ' A' ' 48' ' ' VAL . 2.7 m -139.02 -3.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.277 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 5.8 tptp -59.5 123.03 15.51 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.58 -24.54 7.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.141 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 13.6 tpp180 -67.99 -55.53 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.128 0.49 . . . . 0.0 110.447 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 21.7 m-30 -113.74 165.17 12.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.953 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.6 m -125.38 120.98 32.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.379 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.757 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -102.67 118.73 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.493 0.663 . . . . 0.0 111.269 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -151.43 159.06 44.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.255 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.64 169.0 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.83 144.06 26.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 10.6 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.75 2.59 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.82 157.86 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -83.63 74.51 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -138.45 152.81 48.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.614 -179.535 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 72' ' ' ARG . 19.4 tp -124.33 124.62 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.093 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -114.86 161.79 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.354 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -156.66 135.96 12.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.853 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.626 HE22 ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -104.37 110.9 23.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.313 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.623 ' HB3' HD11 ' A' ' 86' ' ' LEU . 2.0 mtt -84.01 101.81 12.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -101.34 166.62 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 t 70.47 -71.77 0.12 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.051 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.636 ' HG ' HG21 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 61.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.28 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' HG3' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -172.08 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.987 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.493 ' H ' ' HG3' ' A' ' 87' ' ' LYS . 20.6 m -151.07 -44.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.545 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 9.1 pt-20 -58.99 -30.52 68.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.221 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 115' ' ' VAL . 32.5 t70 -62.94 -28.84 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.633 HG23 ' HA ' ' A' ' 114' ' ' THR . 4.8 m -67.61 89.73 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.803 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . . . -172.36 170.73 4.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 111' ' ' THR . 5.4 t -87.7 125.61 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.877 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 111' ' ' THR . 10.4 m-85 -104.6 150.0 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.119 0.485 . . . . 0.0 111.374 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HD1' HD11 ' A' ' 45' ' ' LEU . 1.1 m-85 -142.46 161.94 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.489 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 14.0 p -113.54 141.93 46.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.963 ' HB3' HD21 ' A' ' 104' ' ' LEU . . . -153.45 165.72 34.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.238 0.542 . . . . 0.0 112.347 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -91.58 152.39 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.858 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.55 115.31 22.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.422 . . . . 0.0 111.115 -179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -59.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.56 -81.22 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.58 10.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -130.21 -9.59 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 111.062 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 97' ' ' ALA . 3.0 tp 61.52 171.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -115.5 -33.62 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.97 117.59 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.217 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -129.65 -134.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.822 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 74.41 177.36 37.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.984 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.692 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.57 -51.67 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 111.05 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.21 99.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.742 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 94' ' ' TYR . 9.0 t -97.51 120.77 38.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.942 0.401 . . . . 0.0 110.695 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.41 116.21 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.557 HG13 HD13 ' A' ' 18' ' ' LEU . 87.9 t -108.62 118.21 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.09 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.633 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -116.97 148.67 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.275 0.56 . . . . 0.0 112.178 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 96.0 t -128.36 133.28 67.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.724 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 t -152.86 133.3 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -96.06 27.3 3.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 60.62 -179.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -96.96 100.67 12.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.95 175.3 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.752 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -137.49 144.84 42.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -52.22 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.5 159.2 22.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 tt -82.94 137.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 1.8 t -164.5 142.06 6.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 55.89 27.14 10.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 125' ' ' SER . 93.4 mt-10 -127.73 10.34 6.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -148.75 87.5 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -131.42 -87.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.499 HD21 ' HB2' ' A' ' 134' ' ' HIS . 19.3 t-20 -159.04 134.19 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 15.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 -78.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.8 -7.83 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.499 ' HB2' HD21 ' A' ' 130' ' ' ASN . 39.2 t-80 61.89 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.712 0.291 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.795 HG12 ' HA3' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -120.87 128.52 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.307 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.87 128.88 47.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.691 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -113.25 -176.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.373 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.659 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 32.2 tt0 -147.32 111.89 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.831 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -94.32 116.65 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.496 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -142.57 146.62 34.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.23 -5.74 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.51 138.39 49.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.393 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.839 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -134.17 -174.14 13.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.477 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.33 109.69 20.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.535 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 86' ' ' LEU . 2.3 m -121.75 -176.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 111.6 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 15' ' ' GLY . 2.4 mp0 -103.54 167.15 10.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.949 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.94 30.9 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.609 2.206 . . . . 0.0 112.72 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -173.14 31.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.364 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.29 -134.02 6.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 t -157.11 146.96 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.668 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 10' ' ' GLY . 8.0 tp -142.55 149.49 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -129.74 108.08 9.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 81' ' ' LEU . 22.2 m -104.81 147.59 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.293 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 p -128.8 166.32 19.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 78' ' ' THR . 3.6 t -147.65 104.87 3.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.23 100.35 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.879 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.66 175.84 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.327 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.5 103.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.795 ' HA3' HG12 ' A' ' 2' ' ' VAL . . . 163.49 -37.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.404 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.42 -175.31 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.65 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -85.13 -106.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -173.81 -62.35 0.02 OUTLIER 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.75 0.309 . . . . 0.0 111.261 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.2 t -62.78 -10.29 12.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -17.79 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.72 169.79 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 28.6 m80 -111.0 95.78 5.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.486 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.498 ' HE1' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -87.52 166.45 14.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 111.907 -178.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -160.02 155.55 25.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.7 ' HE1' HD22 ' A' ' 79' ' ' LEU . 23.0 m95 -104.98 148.19 26.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.828 ' CG2' HD23 ' A' ' 104' ' ' LEU . 1.1 t -123.3 165.41 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.574 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 25.7 ttp180 -157.49 137.69 12.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.841 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.2 tt0 -126.76 114.45 17.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -76.77 163.82 63.25 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.292 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 7.1 Cg_endo -49.37 -18.05 2.0 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.7 2.267 . . . . 0.0 112.419 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.62 70.37 0.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.583 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.41 167.01 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.325 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.19 51.23 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.267 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 66.42 149.44 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 0.0 111.323 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.83 134.42 14.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.492 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.684 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 1.1 t90 -71.87 111.76 7.39 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG12 HG11 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -79.64 -56.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.479 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.522 ' C ' ' HE1' ' A' ' 47' ' ' TRP . 0.7 OUTLIER -131.59 154.49 48.81 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.434 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 1.1 m -138.81 141.65 38.72 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.352 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.416 ' HB ' HG23 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -117.64 140.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.027 0.442 . . . . 0.0 111.651 -179.559 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -109.98 128.85 24.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.07 153.56 28.69 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.575 2.183 . . . . 0.0 112.636 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.74 -92.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.726 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.1 -44.23 83.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.76 40.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.124 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.86 158.61 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.18 142.1 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.967 0.413 . . . . 0.0 111.52 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.12 136.72 52.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.69 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 12.3 m-85 -127.03 172.42 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.036 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -75.52 16.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 1.1 m-20 76.53 -51.11 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.634 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -83.83 14.48 3.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.652 0.263 . . . . 0.0 111.192 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.712 HG11 HG12 ' A' ' 48' ' ' VAL . 2.0 m -139.99 0.85 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.615 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -53.07 -52.4 58.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.353 . . . . 0.0 110.613 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.49 27.4 20.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.759 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.74 HH21 ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -111.39 -57.0 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 111.075 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 97.3 m-85 -116.55 165.31 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.546 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 m -126.77 125.86 42.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.288 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 1.6 tt -103.2 131.26 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.552 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.19 166.11 34.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.784 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 29.2 ptt180 -160.99 155.97 24.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -100.37 127.97 46.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.98 151.37 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.07 19.01 5.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -138.28 118.46 13.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.3 70.21 4.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 1.5 m -156.09 118.56 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 112.089 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 36' ' ' TRP . 1.4 mt -85.82 143.6 28.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.719 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.419 ' HE1' ' HB ' ' A' ' 78' ' ' THR . 62.4 m-85 -133.18 130.53 39.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 69' ' ' THR . 7.4 tt -127.11 136.78 52.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.606 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.554 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 36.6 tp60 -103.75 104.9 14.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.507 ' SD ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.73 -179.134 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 161.61 15.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.33 43.72 31.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.717 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 12' ' ' VAL . 2.1 mp -60.88 132.32 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.732 ' HG3' ' H ' ' A' ' 89' ' ' GLU . 14.2 ptpt -132.44 -166.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 t -62.21 -16.09 50.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.068 0.461 . . . . 0.0 110.389 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.74 ' HG2' HH21 ' A' ' 67' ' ' ARG . 4.2 tp10 -82.49 -39.63 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.486 ' CG ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -52.61 -28.41 21.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 114' ' ' THR . 96.9 m -63.95 90.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.432 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -170.24 -179.49 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.275 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 38.8 t -97.44 145.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.423 ' HH ' ' HZ ' ' A' ' 68' ' ' PHE . 22.4 m-85 -121.69 147.82 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 111.896 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 45' ' ' LEU . 35.9 m-85 -134.72 167.41 20.89 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.731 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 4.8 p -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.499 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.846 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -165.25 165.93 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.141 0.496 . . . . 0.0 111.913 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.68 151.24 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.983 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.539 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.37 113.26 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 111.222 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.17 10.97 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.42 -61.29 0.57 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.238 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.68 118.89 2.87 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.369 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.62 159.63 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.846 ' HG ' ' HB3' ' A' ' 97' ' ' ALA . 9.9 tp -98.85 156.52 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.038 0.447 . . . . 0.0 111.461 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.652 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 2.2 t0 -97.9 -30.76 12.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.082 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.34 108.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.899 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.652 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.3 m0 -125.74 -10.4 6.71 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 111.005 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' HA3' ' SG ' ' A' ' 96' ' ' CYS . . . -77.26 148.39 34.26 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.174 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.659 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 5.6 mm-40 -51.88 131.96 31.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.291 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.03 98.54 0.72 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.581 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 94' ' ' TYR . 6.1 t -71.8 137.71 47.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -90.65 103.01 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.839 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.503 HG11 ' HE1' ' A' ' 83' ' ' MET . 96.3 t -107.11 129.17 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.895 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 91' ' ' THR . 1.4 m -133.71 162.3 32.33 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 t -131.44 108.73 15.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.814 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.7 t -128.75 149.92 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.43 113.66 15.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.6 14.29 17.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.87 141.58 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -70.1 -23.17 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.69 102.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.055 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -104.11 -72.3 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 57.11 91.42 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -124.81 137.95 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.044 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.428 ' N ' HG13 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -140.76 70.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -147.45 3.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.74 97.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.05 89.73 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.1 mt 63.06 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.293 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.06 68.86 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.13 91.99 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -93.69 -49.66 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.67 179.59 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -90.57 -169.54 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.798 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.8 m80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.951 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.757 0.313 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.72 151.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.172 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.45 141.15 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.618 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -124.27 -174.59 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.745 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 0.7 OUTLIER -152.71 140.72 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 109' ' ' GLN . . . -125.37 164.64 19.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 111.741 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 23.2 t -176.75 169.13 2.53 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.86 13.81 7.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.716 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 144.25 45.7 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.65 176.08 26.67 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.4 OUTLIER -108.9 106.57 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -111.65 -178.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.78 157.59 41.31 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.17 82.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.493 2.129 . . . . 0.0 112.177 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.54 -21.61 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.161 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.52 -136.61 0.17 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.265 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -174.75 136.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -120.66 145.34 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.067 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' HG ' ' A' ' 18' ' ' LEU . 5.6 ttm-85 -122.81 107.54 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.541 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.632 HG21 HG21 ' A' ' 111' ' ' THR . 0.4 OUTLIER -103.69 168.45 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.0 111.439 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.502 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.3 p -144.92 165.35 28.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.741 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 35.5 t -144.72 113.31 6.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.382 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 104.82 17.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.096 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -87.51 170.09 11.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.287 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -151.03 125.39 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.703 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.34 -66.55 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.169 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -110.53 178.4 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.627 0.251 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -72.57 -119.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.958 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' HE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -169.7 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.817 ' HA ' HH12 ' A' ' 72' ' ' ARG . 2.8 t -68.98 -18.33 64.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t -82.34 -27.69 32.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -112.75 -168.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.645 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.16 151.45 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.141 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.489 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 1.4 mmt -143.94 163.68 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.219 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -162.92 154.97 18.29 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.553 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.676 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 32.8 m95 -111.66 115.18 28.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.476 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.051 HG12 ' HA ' ' A' ' 47' ' ' TRP . 15.5 m -102.34 163.47 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 8.9 ttp180 -138.64 148.07 43.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.409 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.518 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 24.4 tt0 -138.21 105.27 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.015 ' HB3' ' HG3' ' A' ' 43' ' ' LYS . . . -76.19 153.44 84.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.21 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.607 2.205 . . . . 0.0 112.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 68.54 1.25 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.568 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.015 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 14.1 mmtt -142.86 -99.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.69 22.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.479 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 46' ' ' GLU . 2.8 tt 64.19 162.92 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.062 0.458 . . . . 0.0 111.243 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -160.26 126.17 4.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.22 179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 1.051 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.2 -24.01 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.606 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.813 HG22 HG11 ' A' ' 64' ' ' VAL . 2.6 t 55.99 -76.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 48' ' ' VAL . 60.5 p -134.08 149.03 51.1 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.596 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -134.99 145.12 47.81 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.938 179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.705 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.7 tt -123.92 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 0.0 111.315 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -84.65 144.93 43.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HA ' HH22 ' A' ' 72' ' ' ARG . 10.0 Cg_endo -51.61 121.74 9.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.686 2.257 . . . . 0.0 112.566 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' H ' HH22 ' A' ' 72' ' ' ARG . . . 94.42 20.25 30.28 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.55 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 53.97 64.28 1.89 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.01 -110.24 3.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.592 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -79.92 156.31 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.663 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.31 143.2 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.316 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HD2' HG22 ' A' ' 50' ' ' THR . 2.2 m-85 -132.23 128.19 37.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.549 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.671 ' HD2' HG23 ' A' ' 64' ' ' VAL . 13.2 m-85 -118.91 165.97 13.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -78.81 14.01 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.496 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 73.04 -27.93 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -89.72 -10.22 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.778 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.813 HG11 HG22 ' A' ' 48' ' ' VAL . 35.5 m -124.59 13.01 4.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 13.1 tptt -84.55 121.92 28.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.5 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.35 -11.1 65.36 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.853 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.511 ' H ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -108.23 -49.32 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.96 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 16.2 m-30 -104.89 152.31 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.109 0.48 . . . . 0.0 111.59 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 87.4 m -123.75 119.15 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.491 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.705 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.99 120.3 52.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.52 166.41 33.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.341 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.817 HH12 ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -159.16 -178.68 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.429 -179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.72 179.43 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -125.29 14.74 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.44 51.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -8.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.319 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.99 73.37 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -161.87 157.29 23.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 111.895 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.676 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -125.79 123.64 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.757 179.131 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 71.1 m-85 -118.44 125.83 50.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.611 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -125.54 138.24 53.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -104.47 106.61 17.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 9.2 mtt -82.96 87.36 6.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -105.03 170.3 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.024 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.97 53.32 12.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' CB ' ' A' ' 90' ' ' ASP . 1.6 mp -72.09 168.91 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' HE2' ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -162.32 -49.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.621 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.85 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' HG2' ' HE2' ' A' ' 87' ' ' LYS . 8.4 pt-20 -60.03 -17.61 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.202 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -74.25 -32.79 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 179.71 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.642 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.1 m -63.79 92.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.853 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.39 -166.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.032 0.444 . . . . 0.0 111.489 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.32 126.96 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.746 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 22.3 m-85 -109.19 137.87 46.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HD1' HG23 ' A' ' 37' ' ' VAL . 1.3 m-85 -124.24 165.37 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -130.02 143.01 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -163.08 165.54 24.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.259 0.552 . . . . 0.0 112.208 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -87.33 141.13 28.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.86 171.43 13.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.21 -47.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -127.41 -83.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.54 -6.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.697 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.02 157.82 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 8.9 tp -98.45 154.54 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.714 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.9 OUTLIER -98.3 -35.58 10.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.233 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.17 111.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.901 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.714 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -132.07 -0.01 3.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -95.61 148.54 19.02 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.818 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.745 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -53.66 133.94 41.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.79 113.98 4.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.274 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.632 HG21 HG21 ' A' ' 20' ' ' VAL . 6.3 t -71.19 129.88 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.98 97.29 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -104.7 124.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.861 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.642 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.1 OUTLIER -124.38 160.69 27.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.749 -179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.56 101.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.9 p -123.0 165.66 16.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.641 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 30.8 p -89.13 -11.39 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.086 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 117' ' ' SER . 0.1 OUTLIER 38.58 -152.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.101 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.25 31.64 1.54 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.004 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' H ' ' HG3' ' A' ' 118' ' ' GLN . 4.9 mm-40 -79.8 175.04 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.63 -30.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.61 161.57 17.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.06 70.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.261 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 126' ' ' GLU . 43.9 mt 52.43 -95.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 p 57.53 15.78 2.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.311 . . . . 0.0 111.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.571 ' H ' HG22 ' A' ' 124' ' ' ILE . 0.8 OUTLIER -160.52 19.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 124' ' ' ILE . 84.8 mt-10 56.25 28.22 12.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.33 -178.93 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 mt -110.5 113.72 26.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -106.48 147.35 29.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.11 -166.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.818 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -134.52 155.34 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -105.06 -64.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 -179.4 6.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.66 0.267 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 27' ' ' PHE . 33.1 m -86.67 133.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.241 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.48 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.99 144.35 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.627 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -129.76 177.17 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.3 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.447 ' HA ' ' HA2' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -145.12 121.7 11.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.526 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -100.04 145.77 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.466 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.663 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 12.3 t -169.1 179.27 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.635 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.12 -19.08 41.34 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.646 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.23 162.36 1.35 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.655 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' N ' HD11 ' A' ' 18' ' ' LEU . . . -169.95 -173.77 37.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.859 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.617 ' HA ' ' O ' ' A' ' 114' ' ' THR . 15.4 mt -97.66 127.39 43.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 86' ' ' LEU . 1.9 m -112.42 -174.69 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.599 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -107.73 123.26 38.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.208 178.513 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.14 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.25 2.633 . . . . 0.0 113.231 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 15.15 9.59 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.359 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.61 -133.45 7.88 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.73 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -159.18 158.36 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -153.37 124.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.371 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -104.78 121.51 43.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 83' ' ' MET . 3.2 m -116.4 162.29 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 58.0 p -138.27 161.0 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.372 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 78' ' ' THR . 50.0 t -133.61 113.79 12.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.245 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.29 91.63 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -93.23 175.51 6.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.733 ' HA ' HD22 ' A' ' 77' ' ' ASN . 0.5 OUTLIER 179.52 114.94 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.647 0.261 . . . . 0.0 111.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.88 0.42 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.755 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.671 ' HB3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -154.64 -24.55 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.522 0.661 . . . . 0.0 112.393 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.497 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 5.0 m 61.8 161.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 111.56 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 31' ' ' SER . 1.3 m-85 -105.25 -160.05 0.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.808 ' HA ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER 66.62 -7.24 0.46 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.021 -179.677 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 29' ' ' PHE . 38.2 m -134.04 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.785 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.57 171.16 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.259 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.87 132.67 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.313 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.504 ' HE1' HD13 ' A' ' 4' ' ' LEU . 1.1 mmt -126.91 168.81 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -163.57 149.4 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.085 0.469 . . . . 0.0 112.139 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.601 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 20.6 m95 -104.18 109.29 21.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' ' 47' ' ' TRP . 2.3 m -103.01 165.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 5.2 ttp180 -143.36 148.13 35.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.417 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 27.3 tt0 -136.03 113.33 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.51 150.35 76.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.59 98.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.594 2.196 . . . . 0.0 112.382 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.03 48.38 3.61 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.5 -162.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.126 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.61 23.64 6.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD21 ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt 64.05 166.44 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.144 0.497 . . . . 0.0 111.554 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.685 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -155.71 126.16 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.061 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.06 -26.6 16.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.799 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 23.6 t 58.52 -77.98 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 48' ' ' VAL . 82.8 p -133.14 148.7 52.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.627 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -133.97 145.56 49.64 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.119 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.58 HG21 ' HD3' ' A' ' 72' ' ' ARG . 4.0 tt -121.72 141.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.405 ' CG ' ' HD2' ' A' ' 53' ' ' PRO . 10.4 t30 -88.49 143.73 32.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.226 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.59 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 76.4 Cg_exo -47.11 135.96 18.43 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.808 ' H ' ' HA ' ' A' ' 30' ' ' SER . . . 91.77 3.46 68.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.66 83.86 0.1 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.11 -90.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 140.83 49.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.714 0.292 . . . . 0.0 110.679 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.39 141.08 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 111.785 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.47 133.55 40.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.24 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.713 ' HB3' HG23 ' A' ' 64' ' ' VAL . 12.6 m-85 -120.27 167.04 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -72.62 12.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' TYR . 22.5 m-20 73.35 -24.57 0.2 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.537 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -98.89 -3.54 35.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -118.35 -1.67 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.275 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 20.8 mmmt -59.71 117.15 4.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.09 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -60.04 3.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.6 m-30 -116.66 165.08 13.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.4 m -127.2 120.73 29.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.575 HG12 ' HB ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -101.81 119.7 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.386 0.612 . . . . 0.0 111.174 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -151.08 165.69 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.026 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -160.71 177.73 10.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.919 0.39 . . . . 0.0 111.189 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.4 -32.24 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.36 -32.4 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -105.76 163.99 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.733 HD22 ' HA ' ' A' ' 25' ' ' SER . 5.4 m-20 -104.28 66.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -140.95 143.98 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 112.028 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 72' ' ' ARG . 11.7 tp -107.33 142.14 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' ' HE1' ' A' ' 36' ' ' TRP . 34.8 m-85 -128.03 154.51 45.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.166 0.507 . . . . 0.0 112.004 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 69' ' ' THR . 3.2 tp -153.1 133.86 13.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.718 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -104.42 106.04 16.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.242 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.493 ' HE1' HG11 ' A' ' 20' ' ' VAL . 1.4 mtt -85.01 93.25 8.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.83 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 17' ' ' SER . 3.3 m-20 -103.55 84.33 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.501 ' H ' HD22 ' A' ' 86' ' ' LEU . 3.5 p -176.39 -93.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' SER . 0.4 OUTLIER 53.07 94.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.186 0.517 . . . . 0.0 110.542 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.12 43.84 2.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.245 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 57.44 17.19 3.66 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.205 0.526 . . . . 0.0 110.212 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -121.52 -34.09 3.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -59.47 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.436 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 114' ' ' THR . 3.8 m 44.07 91.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.44 172.53 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.345 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 111' ' ' THR . 24.4 t -85.76 144.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.175 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.634 ' O ' HG22 ' A' ' 111' ' ' THR . 26.9 m-85 -124.37 138.82 54.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.11 0.481 . . . . 0.0 111.464 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -135.97 165.24 26.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.162 179.497 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.671 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -121.01 137.24 54.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -145.92 160.98 41.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.158 0.504 . . . . 0.0 112.235 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.73 128.33 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.466 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -83.97 149.21 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.35 -59.2 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.12 -33.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.68 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.85 11.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.584 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.13 108.45 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 37' ' ' VAL . 7.5 tp -69.34 165.09 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.59 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -108.41 -27.53 9.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 61.27 109.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.948 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.59 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 4.8 m0 -128.7 -128.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 70.12 176.26 18.11 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.526 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -85.84 -36.8 19.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 107.75 96.43 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.65 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 9.4 t -94.05 135.33 35.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.08 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -84.81 106.03 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.31 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.03 113.62 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.75 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 91' ' ' THR . 23.0 m -133.09 148.07 52.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.893 0.378 . . . . 0.0 111.423 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -107.67 103.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.34 109.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.03 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 1.4 t -165.47 109.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 117' ' ' SER . 0.4 OUTLIER 56.0 177.96 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.355 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -122.92 -49.35 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.04 172.17 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -146.99 -15.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -97.31 158.99 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.56 166.66 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 124' ' ' ILE . 2.8 mp -53.92 105.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.426 ' H ' ' H ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -170.39 7.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.426 ' H ' ' H ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -143.38 -68.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -63.02 -50.7 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.419 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.4 OUTLIER -95.34 51.87 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.7 tp -147.5 -32.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.39 111.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -110.04 41.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -162.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -38.51 57.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.92 123.42 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.942 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.775 0.321 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.607 HG22 ' CZ3' ' A' ' 107' ' ' TRP . 4.9 m -130.41 27.05 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.369 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.8 160.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' ' 24' ' ' ALA . 42.4 mt -151.77 155.01 37.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -152.11 93.52 1.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' HG2' ' A' ' 109' ' ' GLN . . . -101.68 141.25 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.465 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -145.3 146.0 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.2 -0.97 2.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.641 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.81 94.13 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.917 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.08 -174.35 22.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.651 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 116' ' ' SER . 1.1 mm? -108.92 120.64 43.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.48 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 86' ' ' LEU . 19.2 m -127.01 -178.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.292 0.568 . . . . 0.0 111.542 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.88 148.95 72.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.453 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 97.4 Cg_exo -45.76 94.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.482 2.121 . . . . 0.0 112.473 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.44 12.12 5.79 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.607 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.45 -143.04 10.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -164.54 112.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB2' HG11 ' A' ' 12' ' ' VAL . 31.7 tp -112.94 148.37 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 19' ' ' ARG . 19.0 ttm180 -128.4 106.85 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 81' ' ' LEU . 11.0 m -103.91 147.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 p -124.78 165.62 17.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.019 0.437 . . . . 0.0 111.761 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -145.31 128.62 16.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.9 132.52 54.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.5 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.82 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -136.18 175.34 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 m -162.81 125.04 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.29 -2.37 1.54 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.163 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -158.27 -13.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.863 0.331 . . . . 0.0 111.47 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m 65.65 144.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 111.58 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 3.2 m-85 -88.82 -176.31 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m 59.59 5.68 0.7 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.627 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -126.74 -22.87 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.074 0.464 . . . . 0.0 110.235 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -117.23 -178.25 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.425 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -93.09 139.65 30.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 98' ' ' LYS . 92.1 mmm -138.4 159.53 41.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -165.12 156.06 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.287 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' HE1' ' HB3' ' A' ' 79' ' ' LEU . 29.2 m95 -106.5 143.0 35.25 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.642 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.836 HG12 ' HA ' ' A' ' 47' ' ' TRP . 19.3 m -126.78 165.78 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.923 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.501 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.6 ttp180 -143.38 151.34 40.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.156 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -133.8 104.27 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.863 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.39 150.19 79.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.72 110.64 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 0.0 112.547 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.42 48.84 2.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.371 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.53 -173.24 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.754 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.666 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . -111.04 -41.46 1.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.119 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.666 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 6.1 tp 161.98 165.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.347 0.659 . . . . 0.0 110.486 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.27 130.82 7.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.467 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.836 ' HA ' HG12 ' A' ' 37' ' ' VAL . 3.3 t90 -81.01 110.18 16.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.954 HG12 HG11 ' A' ' 64' ' ' VAL . 2.0 m -79.45 -60.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.013 0.435 . . . . 0.0 111.716 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.638 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -129.97 152.48 49.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.303 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -129.56 151.47 50.14 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.06 179.209 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.779 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.6 tt -132.41 138.53 52.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.65 111.21 25.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.87 171.06 14.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.561 2.174 . . . . 0.0 112.248 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.46 3.81 90.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -161.48 -63.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.96 -3.99 9.81 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.275 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -58.07 133.53 55.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.806 0.336 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.02 136.15 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.499 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -125.45 134.34 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 4.8 m-85 -116.69 174.29 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 64' ' ' VAL . . . -77.36 11.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.949 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 76.29 -42.54 0.44 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 16.9 7.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.954 HG11 HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -139.34 -5.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.35 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.653 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -66.4 137.91 57.2 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.76 -0.88 48.76 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.069 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -99.09 -65.77 0.94 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.335 0.588 . . . . 0.0 110.235 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -104.73 160.42 14.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 22.8 m -121.8 114.07 20.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.779 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.35 121.26 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.689 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.2 t -158.58 158.0 33.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.667 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.67 174.42 10.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.89 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.98 156.41 18.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.21 29.01 17.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -86.76 82.1 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -151.74 142.09 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.186 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB3' ' HE1' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -121.27 136.23 55.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.421 179.034 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -126.44 140.79 52.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 0.0 111.771 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.0 tp -132.83 130.03 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.37 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.518 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 34.7 tp60 -103.69 105.17 15.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.731 ' HE1' HG21 ' A' ' 113' ' ' VAL . 16.8 mtt -82.64 100.73 10.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 172.46 7.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 m 54.06 47.39 23.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.377 . . . . 0.0 110.763 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.695 ' H ' HD22 ' A' ' 86' ' ' LEU . 1.1 mm? -69.1 154.4 42.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.112 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HG2' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -153.11 -48.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.005 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.572 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -175.46 -49.55 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.991 0.424 . . . . 0.0 111.013 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.04 -20.91 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.626 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.576 ' OD2' HG21 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -62.97 -32.93 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.743 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.836 HG23 ' HA ' ' A' ' 114' ' ' THR . 24.6 m -66.07 101.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.283 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.62 178.9 0.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.5 t -90.49 133.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.836 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.537 ' O ' HG22 ' A' ' 111' ' ' THR . 27.6 m-85 -116.17 154.56 29.82 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.297 0.57 . . . . 0.0 112.384 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.528 ' HD1' HG23 ' A' ' 37' ' ' VAL . 3.6 m-85 -144.63 165.3 28.4 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.183 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.621 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.01 107.66 7.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.222 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.682 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -125.61 169.6 12.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 111.962 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.3 OUTLIER -82.78 139.37 33.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.237 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.554 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.69 166.08 18.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.047 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -127.18 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.97 -21.16 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.809 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 173.14 29.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.833 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.7 142.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.669 0.271 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 37' ' ' VAL . 10.1 tp -89.97 155.31 19.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.945 0.403 . . . . 0.0 111.229 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -101.64 -33.64 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.315 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.96 119.1 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.614 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 5.6 m0 -111.61 -85.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -103.35 -146.44 16.82 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.758 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.615 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 6.9 mt-30 76.75 -132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.239 0.616 . . . . 0.0 111.871 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.508 ' HA2' ' CE2' ' A' ' 95' ' ' TYR . . . 110.29 55.62 0.53 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.9 t -84.17 130.47 34.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 111.345 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -93.08 108.6 20.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.731 HG21 ' HE1' ' A' ' 83' ' ' MET . 79.0 t -104.56 129.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.918 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.836 ' HA ' HG23 ' A' ' 91' ' ' THR . 26.3 m -134.55 145.14 48.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 112.208 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.576 HG21 ' OD2' ' A' ' 90' ' ' ASP . 40.1 t -115.27 112.24 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -82.81 80.86 8.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.798 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -171.95 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -129.07 -70.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.02 -90.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 58.77 -175.24 0.09 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 -72.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -114.23 118.12 33.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.52 125.91 21.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 15.5 tt -80.4 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 p -82.91 129.12 34.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.704 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 111.02 3.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -167.31 9.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.13 -74.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.85 109.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.79 -27.69 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.5 m80 57.61 -165.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.88 170.48 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.042 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.53 154.96 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -128.26 28.41 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.023 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.842 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.733 0.301 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -120.59 110.15 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.743 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 138.62 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -110.51 161.01 16.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 111.492 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -117.44 108.5 15.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.232 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 134.93 33.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.709 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -162.14 174.09 13.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.34 30.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.79 120.0 19.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.641 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.45 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -125.8 -174.37 13.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.746 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.418 HD12 ' OE1' ' A' ' 118' ' ' GLN . 1.8 mm? -114.48 128.35 56.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -136.18 -173.18 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.69 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.645 ' N ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -129.31 156.93 77.63 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.543 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 73.3 Cg_exo -49.21 106.14 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.383 2.055 . . . . 0.0 112.185 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.18 6.14 27.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.13 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -148.65 7.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.625 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.92 112.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.801 0.334 . . . . 0.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD21 ' H ' ' A' ' 10' ' ' GLY . 14.9 tp -122.72 129.55 51.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HB2' HE22 ' A' ' 82' ' ' GLN . 2.3 ttm180 -104.61 116.71 32.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 ' HE1' ' A' ' 83' ' ' MET . 33.3 m -105.69 149.63 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -122.39 164.36 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 0.0 111.535 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -147.96 104.52 3.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.69 166.0 16.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -166.92 158.21 12.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 101.3 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.161 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.99 6.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.044 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -167.88 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.896 0.348 . . . . 0.0 111.803 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 64.06 159.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.52 -164.97 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB2' ' HA ' ' A' ' 74' ' ' ASN . 20.2 t 59.61 14.17 3.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.17 -37.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -106.7 157.2 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 5.1 m-70 -92.17 95.04 9.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.609 ' HE1' HD13 ' A' ' 4' ' ' LEU . 6.1 mmm -84.21 172.11 12.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.698 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -150.51 153.96 36.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.626 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 12.1 m95 -104.29 108.86 20.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.319 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.622 ' CG1' ' HG ' ' A' ' 45' ' ' LEU . 1.4 t -100.7 166.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.458 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.635 ' HG2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -149.51 152.4 35.52 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 112.144 -178.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.699 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 3.5 tt0 -138.3 128.24 25.45 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.802 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.928 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -128.36 178.75 1.5 Allowed Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.118 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.928 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 49.9 Cg_exo -30.39 -67.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.067 2.511 . . . . 0.0 113.031 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.586 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -58.38 -32.27 67.94 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.307 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.9 ptpt 54.94 -176.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.86 -7.04 6.48 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 95' ' ' TYR . 1.2 tp 62.24 134.76 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 114.407 -0.896 . . . . 0.0 112.071 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 1.6 tt0 -129.66 122.02 28.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.111 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' HD1' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -55.59 -28.16 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.157 -179.491 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.663 HG13 HG11 ' A' ' 64' ' ' VAL . 37.3 t 55.13 -77.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' N ' HG12 ' A' ' 48' ' ' VAL . 29.5 m -131.05 155.16 47.36 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.521 ' CB ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -146.63 136.19 23.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.887 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.478 HG12 ' NH1' ' A' ' 72' ' ' ARG . 1.6 tt -116.47 140.46 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 111.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -117.1 116.43 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.802 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.47 166.22 26.41 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.57 2.18 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.72 -77.35 1.05 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.652 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.81 -7.53 4.18 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.165 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.26 136.43 48.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.33 157.19 26.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.641 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -131.46 129.93 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.289 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 64' ' ' VAL . 23.5 m-85 -126.6 158.92 35.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.295 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.61 20.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 60' ' ' TYR . 9.3 t70 75.9 -57.07 0.58 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.545 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.05 30.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -148.44 -11.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 7.9 tptt -54.42 -32.57 57.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.95 3.71 22.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.595 ' NE ' ' HE3' ' A' ' 87' ' ' LYS . 2.2 tpp180 -96.42 -65.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.402 . . . . 0.0 110.993 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.683 ' HB3' HD21 ' A' ' 81' ' ' LEU . 67.3 m-85 -109.09 161.01 15.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.218 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 17.7 m -123.36 128.03 49.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.2 OUTLIER -101.2 136.32 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.159 0.504 . . . . 0.0 110.582 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -147.22 161.76 40.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HB3' HH11 ' A' ' 72' ' ' ARG . 1.4 ttp-105 -166.13 142.2 4.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -87.27 142.09 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.563 179.666 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.612 ' HA ' ' HB2' ' A' ' 30' ' ' SER . 0.1 OUTLIER -88.66 46.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.46 -69.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.319 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -79.64 146.15 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.77 84.5 4.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -155.41 156.5 35.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.074 0.464 . . . . 0.0 111.759 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 72' ' ' ARG . 19.8 tp -131.28 126.16 34.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -120.22 150.02 41.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 111.766 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -140.35 142.61 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.241 178.676 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.478 HE22 ' HB2' ' A' ' 19' ' ' ARG . 8.7 tp60 -103.84 107.97 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' ' HD1' ' A' ' 68' ' ' PHE . 12.0 mtt -85.3 99.95 11.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -122.38 170.04 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.49 32.95 21.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.204 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 86' ' ' LEU . 3.1 mp -61.93 127.01 29.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.64 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.613 ' HG2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -116.26 -44.87 2.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.613 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 2.1 t 177.93 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.325 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -22.94 67.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.003 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 86' ' ' LEU . 1.3 m-20 -59.99 -45.62 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 114' ' ' THR . 10.0 m -46.69 99.25 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.025 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . 179.74 174.14 0.86 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.317 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' THR . 25.0 t -92.45 140.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.455 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 111' ' ' THR . 39.9 m-85 -115.88 136.57 52.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 112.663 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.736 ' CE2' HD11 ' A' ' 45' ' ' LEU . 54.9 m-85 -115.82 168.99 9.56 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.848 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HE3' ' A' ' 34' ' ' MET . 2.9 p -142.36 141.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . . . -162.79 166.52 24.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 5.1 tttt -84.79 148.08 26.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.828 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -88.04 134.28 33.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.04 136.02 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.995 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.76 -7.34 55.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.28 -3.46 64.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.62 128.69 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -66.49 149.16 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.804 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' H ' HD13 ' A' ' 104' ' ' LEU . . . 65.85 115.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.722 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -124.44 -130.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.025 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 68.42 176.37 11.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.73 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -95.92 -18.55 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.595 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.13 106.36 2.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.375 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 10.6 t -93.93 132.25 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.76 104.07 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.51 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.507 HG22 ' HA2' ' A' ' 9' ' ' GLY . 76.8 t -114.15 116.77 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.43 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 91' ' ' THR . 1.8 m -129.61 145.11 51.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.9 p -120.62 104.31 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.465 ' HB3' ' H ' ' A' ' 117' ' ' SER . 0.4 OUTLIER -119.63 -116.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.052 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.465 ' H ' ' HB3' ' A' ' 116' ' ' SER . 0.3 OUTLIER -158.23 25.33 0.25 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.418 ' OE1' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -129.92 -164.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.49 -175.66 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.29 46.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.95 -63.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -98.83 142.99 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.59 112.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.509 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -76.26 165.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.937 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 69.9 m -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.44 81.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 63.59 119.02 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.54 117.11 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 pp -162.73 6.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.87 -22.94 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -81.47 -20.54 40.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.727 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.69 -168.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 134.36 54.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -62.21 -69.55 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 68.3 t60 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.909 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.817 0.341 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.9 tm0? -120.36 138.63 53.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -127.24 166.11 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -134.26 133.93 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.759 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -121.47 150.56 41.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.047 0.451 . . . . 0.0 111.777 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.455 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -171.82 -178.21 2.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.764 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.55 30.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.804 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -64.63 142.33 45.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -141.01 -174.65 14.21 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.838 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -110.77 112.4 24.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 HD12 ' A' ' 18' ' ' LEU . 11.4 m -117.41 -178.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.975 0.417 . . . . 0.0 111.558 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -115.32 153.98 47.5 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.005 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.69 90.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.099 . . . . 0.0 112.36 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.46 4.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.54 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -92.85 -138.38 8.61 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.548 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 83' ' ' MET . 63.5 p -162.05 130.97 4.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -129.09 132.08 47.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.961 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -104.73 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 HD22 ' A' ' 18' ' ' LEU . 1.4 m -107.89 153.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.7 p -142.94 165.14 28.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 112.042 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 43.0 t -144.33 111.29 5.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.906 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.57 109.87 18.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.266 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.638 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -90.84 169.74 10.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.32 107.35 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.01 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.64 -25.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.904 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' HD1' ' N ' ' A' ' 28' ' ' THR . 6.6 p90 -152.31 -166.94 2.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 111.202 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.473 ' N ' ' HD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -115.14 143.87 44.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.781 ' HB3' ' HD2' ' A' ' 72' ' ' ARG . 17.2 m-85 -70.29 -40.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.882 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.23 30.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 29' ' ' PHE . 29.4 t -150.71 -34.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.36 155.44 22.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.92 134.38 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.765 ' HE1' HD13 ' A' ' 4' ' ' LEU . 2.1 mmm -133.54 166.32 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB3' HD11 ' A' ' 104' ' ' LEU . . . -156.83 164.87 37.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 112.334 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.511 ' NE1' ' HG ' ' A' ' 79' ' ' LEU . 13.5 m95 -113.92 114.17 25.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.277 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.05 HG13 HD12 ' A' ' 104' ' ' LEU . 4.6 m -104.96 165.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 45' ' ' LEU . 2.1 ttp180 -144.16 151.59 39.74 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 111.042 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 45' ' ' LEU . 3.8 tt0 -142.98 105.55 4.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.453 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 4.8 tp . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -142.41 133.68 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.627 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.686 ' HA ' HG12 ' A' ' 37' ' ' VAL . 15.7 t90 -76.96 108.94 10.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG12 ' OG ' ' A' ' 49' ' ' SER . 14.7 t -80.95 -53.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.809 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.682 ' OG ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -142.18 153.08 43.76 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.579 ' HB ' ' CZ2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -138.76 134.47 33.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.333 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -114.13 142.22 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' SER . 4.7 t-20 -107.29 134.22 20.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.7 137.53 16.23 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.48 -100.87 1.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.702 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.229 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.64 7.51 2.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.717 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 52' ' ' ASN . 17.1 m -51.63 113.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.778 0.323 . . . . 0.0 110.522 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.22 144.99 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 112.073 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -134.69 140.82 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.838 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.531 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 15.9 m-85 -128.72 172.33 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.07 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -76.33 16.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER 75.55 -56.33 0.61 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.592 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -79.82 16.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.273 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 61' ' ' ALA . 4.4 m -145.23 1.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -56.44 -42.05 77.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 20.94 32.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.641 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 64' ' ' VAL . 2.2 tpp85 -112.4 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.61 ' HB3' HD11 ' A' ' 81' ' ' LEU . 77.9 m-85 -104.35 155.92 18.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 36.9 m -121.36 118.02 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.701 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 49' ' ' SER . 0.5 OUTLIER -100.74 118.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.481 0.658 . . . . 0.0 111.097 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -143.72 165.34 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.389 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.781 ' HD2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -161.51 170.38 20.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.247 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -100.51 139.9 35.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.838 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.68 2.23 17.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.57 69.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -167.64 -16.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.85 66.88 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -159.38 148.3 18.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.622 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.549 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 15.4 tp -121.66 114.31 20.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.394 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 30.1 m-85 -105.01 156.66 17.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.457 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 69' ' ' THR . 9.2 tp -148.47 139.49 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.364 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.698 ' HB3' HD21 ' A' ' 84' ' ' ASN . 3.1 tp60 -103.85 118.23 36.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.535 ' SD ' HG11 ' A' ' 113' ' ' VAL . 3.5 mtt -95.42 92.23 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.14 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.698 HD21 ' HB3' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -116.69 162.92 16.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.41 54.56 8.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.612 HD22 ' H ' ' A' ' 86' ' ' LEU . 1.8 mm? -66.3 160.56 24.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.001 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.24 45.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m 61.62 9.7 2.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -99.52 -41.46 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' HD12 ' A' ' 86' ' ' LEU . 10.1 t0 -58.61 -23.68 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.63 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 114' ' ' THR . 62.6 m -60.31 95.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.286 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HB3' ' HG3' ' A' ' 38' ' ' ARG . . . -175.06 -163.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 9.6 t -112.48 126.09 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.231 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.638 ' O ' HG22 ' A' ' 111' ' ' THR . 12.1 m-85 -107.29 146.95 30.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.277 0.56 . . . . 0.0 112.244 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.48 164.78 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.94 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.688 ' O ' HD12 ' A' ' 4' ' ' LEU . 9.1 p -120.98 138.4 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.891 ' HB3' HD13 ' A' ' 104' ' ' LEU . . . -150.69 165.35 33.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.206 0.527 . . . . 0.0 111.986 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.546 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 26.2 ttmt -88.37 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.036 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 130.13 35.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 m -143.49 57.79 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.2 -85.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 7.57 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.72 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.62 156.9 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.05 HD12 HG13 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -97.71 149.49 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -97.33 -32.03 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.618 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.43 111.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.914 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 2.1 m0 -126.61 4.44 6.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.375 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -69.79 174.61 35.85 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.667 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' H ' ' H ' ' A' ' 6' ' ' ALA . 8.4 mm-40 -77.33 -55.04 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.079 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.96 96.97 0.74 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.788 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 94' ' ' TYR . 3.1 t -86.01 122.37 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.63 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -84.45 102.55 12.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.398 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 18' ' ' LEU . 86.1 t -108.41 128.81 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.418 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 91' ' ' THR . 13.2 m -135.74 150.78 49.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 0.0 112.028 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.89 128.51 73.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.76 139.86 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.235 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.0 OUTLIER -117.48 158.6 24.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 4.8 mt-30 -126.67 112.66 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -96.51 137.96 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.746 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 1.5 t -162.48 -176.31 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.8 1.51 52.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.67 153.17 41.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.264 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.39 -174.27 23.51 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.354 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 125.61 50.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.649 -0.276 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG21 HD22 ' A' ' 86' ' ' LEU . 3.8 m -124.84 -174.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 111.628 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.15 147.47 44.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.833 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.83 91.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.229 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.08 22.41 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.545 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.76 -134.77 7.69 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.644 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.74 130.11 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.519 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -128.03 158.33 38.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.536 ' HB2' HE21 ' A' ' 82' ' ' GLN . 0.0 OUTLIER -144.33 104.41 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' CH2' ' A' ' 36' ' ' TRP . 4.2 m -108.7 154.78 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB3' ' CD2' ' A' ' 80' ' ' TYR . 51.9 p -133.26 165.22 25.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.926 0.393 . . . . 0.0 111.807 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' THR . 12.6 t -135.6 116.34 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.91 114.62 25.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.269 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -112.51 170.54 8.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 t -172.6 111.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.36 14.88 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.07 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.06 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.903 0.351 . . . . 0.0 111.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.6 m 65.1 144.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.411 . . . . 0.0 111.403 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 79' ' ' LEU . 3.5 m-85 -89.17 179.06 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.51 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 1.4 p 58.38 14.59 3.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -115.45 -25.48 7.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.54 -178.08 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -97.96 92.48 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.176 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.549 ' HE1' HD13 ' A' ' 4' ' ' LEU . 22.8 mmm -83.59 -178.01 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.765 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -165.55 155.31 12.68 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 10.8 m95 -105.6 116.78 32.53 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.802 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.948 HG13 ' HA ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -101.93 165.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.689 -178.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 HH21 ' HG2' ' A' ' 46' ' ' GLU . 2.7 ttp180 -158.91 130.95 6.6 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 17.6 tt0 -116.78 116.46 27.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.103 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.888 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.561 ' C ' HD23 ' A' ' 45' ' ' LEU . 3.5 tt . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.475 0.655 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -150.0 120.51 7.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.185 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.948 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -49.43 -25.88 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.651 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 8.0 t 59.04 -75.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 83.4 p -144.56 153.54 41.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -133.55 143.87 48.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.715 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.1 tt -121.91 149.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.768 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.61 153.53 38.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.644 ' HA ' HH21 ' A' ' 72' ' ' ARG . 38.1 Cg_endo -65.85 135.7 42.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.42 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.66 34.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.1 73.9 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.794 0.331 . . . . 0.0 110.616 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.28 -144.34 10.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.753 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -65.05 -165.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.714 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.53 141.07 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 111.762 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.78 132.2 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.093 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.48 ' CG ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-85 -116.42 179.47 3.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -79.3 13.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.698 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 71.41 -12.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.497 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -110.22 1.51 18.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.429 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -135.58 -1.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.062 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 7.0 tptp -46.82 -57.82 4.52 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.86 37.24 3.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.666 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.29 -65.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 14.9 m-85 -109.76 165.36 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.126 0.488 . . . . 0.0 111.534 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 52.9 m -124.2 117.46 24.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.221 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.31 110.85 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.331 0.586 . . . . 0.0 111.172 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.03 165.41 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.541 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.667 ' HB3' HD12 ' A' ' 79' ' ' LEU . 2.9 ptt180 -151.45 174.4 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.19 177.46 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.572 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 41.51 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.011 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.93 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.21 163.8 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.507 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 2.7 m-20 -95.35 90.69 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.722 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -162.65 163.2 27.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.407 0.622 . . . . 0.0 112.395 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' A' ' 29' ' ' PHE . 13.9 tp -138.58 126.6 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 21.1 m-85 -116.03 152.24 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 111.988 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 69' ' ' THR . 4.4 tp -146.75 133.9 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.953 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.536 HE21 ' HB2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -104.52 119.08 38.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.499 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -84.9 100.66 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.48 163.38 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.7 38.03 29.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.8 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 12' ' ' VAL . 1.2 mp -61.51 143.57 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.664 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -135.3 -57.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.667 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 t -173.42 -20.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.664 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 7.4 tt0 -73.39 -39.39 65.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.46 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -51.21 -29.97 15.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.571 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 114' ' ' THR . 35.5 m -60.71 90.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.5 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.58 -171.06 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 7.7 t -97.52 149.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.645 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.543 ' HB2' HG23 ' A' ' 111' ' ' THR . 27.7 m-85 -124.16 126.41 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 111.999 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.487 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 22.5 m-85 -107.45 167.85 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.093 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 p -137.62 138.39 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -164.48 165.94 20.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 5.1 ttmt -93.53 142.25 27.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.602 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -84.94 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -162.09 130.85 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.52 -9.93 60.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.14 9.17 42.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.431 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.97 137.97 22.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 37' ' ' VAL . 11.1 tp -79.39 156.51 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.576 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -110.99 -34.2 6.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.467 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.61 96.74 0.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.921 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.576 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.2 m0 -113.77 2.72 15.26 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 153.12 40.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.455 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -65.6 -27.99 68.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.47 110.4 2.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.746 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -102.97 133.44 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.076 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -84.79 107.35 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.718 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.2 t -112.36 137.76 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.288 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 91' ' ' THR . 47.8 m -142.29 154.28 44.59 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG13 HG23 ' A' ' 12' ' ' VAL . 5.9 t -125.61 121.88 61.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.78 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt0 -126.4 157.28 38.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.395 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -132.43 174.97 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -178.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 117.35 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -109.92 139.69 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.331 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.576 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 3.9 t -168.33 -179.21 3.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.92 -8.3 33.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.24 172.12 22.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.47 39.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.937 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -97.9 117.92 33.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.751 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 18' ' ' LEU . 8.3 m -117.65 -174.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -116.36 148.68 42.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.053 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.03 91.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.508 2.138 . . . . 0.0 112.478 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.66 18.28 4.46 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.806 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.613 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -91.78 -139.69 8.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.378 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.62 126.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HG13 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.17 132.5 43.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 111.428 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 19' ' ' ARG . 5.4 ttm180 -104.79 106.8 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.29 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG23 ' CH2' ' A' ' 36' ' ' TRP . 2.3 m -105.53 149.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.109 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 4.2 p -129.88 165.72 21.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.818 0.342 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 52.4 t -149.46 114.72 5.48 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.508 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.85 179.61 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.557 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -164.18 150.75 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.392 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.87 131.76 44.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.43 -33.44 2.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.64 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 2' ' ' VAL . 33.5 p90 -150.96 -175.02 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 1.3 m -72.53 -116.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.507 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 0.3 OUTLIER -177.52 -54.9 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 1.1 m -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.472 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -50.25 -22.68 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -107.82 163.02 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.494 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.619 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -96.76 104.02 15.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.117 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.3 mmt -93.03 160.01 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.264 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.665 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -149.78 147.04 27.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.899 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 79' ' ' LEU . 45.9 m95 -104.2 107.27 18.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.887 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.082 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.2 m -103.65 165.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.42 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.64 150.78 36.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.953 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.58 HE21 ' HB2' ' A' ' 45' ' ' LEU . 17.2 tt0 -126.37 113.7 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 106' ' ' ALA . 13.6 tp . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 121.117 0.484 . . . . 0.0 111.417 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.846 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 8.1 tp10 -114.19 139.17 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 1.082 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -65.49 -25.57 67.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.846 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 17.5 t 56.58 -77.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.5 m -125.39 146.35 49.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.223 0.824 . . . . 0.0 113.223 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.505 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -142.16 134.07 27.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.807 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 tt -116.54 141.58 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.528 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -114.74 130.16 24.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 30' ' ' SER . 72.3 Cg_endo -74.79 176.16 10.2 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.556 2.171 . . . . 0.0 112.665 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.14 -70.43 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.821 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -76.62 -76.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.65 0.262 . . . . 0.0 111.237 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.74 -5.1 4.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.055 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.5 m -59.71 -178.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.715 0.293 . . . . 0.0 110.69 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.02 157.99 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HD1' HG22 ' A' ' 50' ' ' THR . 4.3 m-85 -136.13 121.91 19.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.294 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.665 ' HB3' HG23 ' A' ' 64' ' ' VAL . 28.4 m-85 -120.81 162.67 19.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -73.85 9.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.16 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 15.6 m-20 75.79 -43.5 0.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t -80.97 7.64 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.459 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' A' ' 60' ' ' TYR . 1.6 m -126.68 -8.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.139 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.87 128.3 35.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.167 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.32 -21.43 10.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.589 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.462 ' CZ ' ' HE2' ' A' ' 87' ' ' LYS . 8.0 tpp180 -79.06 -63.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 81' ' ' LEU . 17.8 m-30 -111.79 152.54 27.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.167 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.693 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 37.2 m -118.29 118.3 31.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.202 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -101.02 124.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.62 -179.257 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -135.09 165.67 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.985 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 3.9 ttp180 -146.17 163.29 35.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.996 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 6.4 t70 -113.61 131.17 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -88.41 31.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.79 16.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.709 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -170.9 167.25 7.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -99.77 78.62 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -152.27 142.9 22.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.961 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -109.71 144.9 37.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.237 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -132.3 149.28 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.46 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.8 tp -153.18 135.12 14.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.078 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.47 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 6.9 tp-100 -103.57 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.459 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -87.27 96.32 10.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.31 166.71 12.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.62 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.7 44.22 26.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.765 HD22 ' H ' ' A' ' 86' ' ' LEU . 1.3 mm? -60.86 146.68 45.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HE2' ' CZ ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.38 51.21 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m 65.54 3.04 2.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HG3' HH12 ' A' ' 38' ' ' ARG . 0.3 OUTLIER -92.92 -36.99 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 110.189 179.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 86' ' ' LEU . 4.5 t70 -66.9 -18.96 65.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.827 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.6 m -61.44 95.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.619 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -177.34 -167.6 0.17 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.065 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 21.7 t -109.22 125.01 66.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.989 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 111' ' ' THR . 18.2 m-85 -104.78 141.36 36.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.466 0.65 . . . . 0.0 112.657 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -134.97 165.49 25.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.641 178.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.721 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -129.39 142.36 50.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.587 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -153.25 165.22 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.45 144.03 28.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.367 179.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.619 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.01 149.15 23.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.015 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -43.22 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.798 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.94 -79.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -133.34 3.38 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.638 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.91 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.615 0.245 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 35' ' ' ALA . 13.3 tp -110.48 158.24 18.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.058 0.456 . . . . 0.0 111.432 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.665 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -98.18 -11.99 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.233 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.654 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . 76.52 -56.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.665 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 48.8 m0 44.53 -151.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.649 0.261 . . . . 0.0 111.209 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.6 169.45 17.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.462 ' H ' ' H ' ' A' ' 6' ' ' ALA . 31.3 mt-30 -84.56 -39.24 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.092 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 113.37 93.45 2.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.946 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.4 t -86.12 127.44 34.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 110.4 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -84.85 108.86 17.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.529 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 133.13 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 91' ' ' THR . 2.5 m -139.63 154.87 47.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.449 . . . . 0.0 111.801 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.43 141.11 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 111.194 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.43 ' HB ' ' CZ3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.066 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 136.42 54.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.836 HD13 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -110.36 165.64 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.141 0.496 . . . . 0.0 111.894 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -143.41 87.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.981 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.523 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -84.79 138.62 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.059 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.77 165.68 14.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.469 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.98 26.78 3.42 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -85.29 124.55 6.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.671 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.99 -174.51 16.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.602 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.67 124.11 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -130.54 -174.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.528 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.521 ' H ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -114.34 155.19 46.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.744 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.91 92.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.325 2.017 . . . . 0.0 112.386 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 12.12 5.78 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.747 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 -135.44 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -164.88 134.52 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -133.93 146.75 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.728 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -124.81 109.39 13.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG22 ' HB3' ' A' ' 81' ' ' LEU . 4.5 m -109.61 159.09 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -139.97 165.23 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.566 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.56 111.08 5.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.88 132.4 33.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.358 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -135.44 170.59 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.18 137.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.56 2.08 6.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.799 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.9 -12.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.289 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.535 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 36.8 m 65.14 141.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.656 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 2.5 m-85 -83.16 -174.85 5.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.71 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 t 54.58 25.49 6.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.35 -28.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -116.0 162.62 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.501 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -84.91 139.81 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.497 ' HB3' ' HE2' ' A' ' 34' ' ' MET . 28.5 mmm -137.95 175.25 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.688 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -163.94 150.71 11.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.139 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 14.7 m95 -105.1 107.26 18.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.617 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.037 HG12 ' HA ' ' A' ' 47' ' ' TRP . 3.6 m -101.95 164.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.999 0.428 . . . . 0.0 111.737 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.0 ttp180 -140.29 151.4 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.013 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.587 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 16.8 tt0 -133.32 113.73 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.666 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 37' ' ' VAL . 12.4 tp . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 121.204 0.526 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.2 tt0 -153.07 130.46 11.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.894 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 1.037 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -61.1 -27.6 68.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.028 HG22 HG11 ' A' ' 64' ' ' VAL . 2.5 t 56.57 -78.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.675 ' N ' HG12 ' A' ' 48' ' ' VAL . 5.9 m -126.02 147.14 49.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.543 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -139.71 128.91 23.86 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.069 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.451 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 2.9 tt -120.88 142.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.016 0.436 . . . . 0.0 111.575 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.668 HD21 ' H ' ' A' ' 57' ' ' SER . 34.8 p-10 -96.69 148.1 33.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.721 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.49 -73.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.547 2.164 . . . . 0.0 112.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.7 -174.04 44.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.092 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.95 -80.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.26 . . . . 0.0 111.27 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.474 ' H ' HD21 ' A' ' 52' ' ' ASN . . . 131.02 1.94 4.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.453 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.668 ' H ' HD21 ' A' ' 52' ' ' ASN . 3.0 t -53.41 118.19 3.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.731 0.3 . . . . 0.0 110.69 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.98 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.575 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 50' ' ' THR . 4.5 m-85 -140.12 124.89 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.575 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 57.6 m-85 -125.23 164.89 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 13.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 76.0 -48.3 0.58 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.36 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -80.65 13.7 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.803 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.028 HG11 HG22 ' A' ' 48' ' ' VAL . 12.5 m -139.08 14.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -76.9 -64.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.189 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.81 33.66 2.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' HA ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -145.2 -55.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.704 0.288 . . . . 0.0 111.384 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 82' ' ' GLN . 20.7 m-30 -106.47 124.98 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 111.97 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.745 ' HB ' ' HB3' ' A' ' 82' ' ' GLN . 6.2 m -104.98 134.25 48.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.115 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.5 OUTLIER -103.5 127.38 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.261 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 p -158.2 133.59 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.7 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HD2' ' HD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -118.53 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.999 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -104.57 128.92 52.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 141.84 43.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.92 29.96 19.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.0 tmtt? -138.76 -155.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.934 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.535 ' OD1' ' HA ' ' A' ' 28' ' ' THR . 2.9 m120 -149.43 72.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.73 149.45 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.877 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 96' ' ' CYS . 23.8 tp -125.24 125.61 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.583 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -113.07 154.45 26.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.209 0.528 . . . . 0.0 112.099 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 82' ' ' GLN . 2.2 tm? -135.47 141.59 45.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.663 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.754 ' N ' HD13 ' A' ' 81' ' ' LEU . 14.8 tp60 -108.43 104.35 13.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.441 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.519 ' SD ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -89.32 84.95 6.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.108 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -115.65 169.12 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.545 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.74 26.07 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.947 0.403 . . . . 0.0 110.455 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.22 148.43 14.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.161 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.582 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -159.61 61.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 63.9 1.99 1.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' HB3' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -98.38 -23.93 15.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.441 . . . . 0.0 110.317 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CG ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 -80.53 -21.31 41.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.827 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 114' ' ' THR . 27.1 m -59.21 90.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.378 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.49 179.03 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 18.5 t -88.45 145.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.227 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 20.5 m-85 -125.5 128.95 48.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 111.506 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 37' ' ' VAL . 1.5 m-85 -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.87 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.836 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.67 141.06 37.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.419 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.704 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -161.67 167.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 3.9 tttt -83.15 139.23 33.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.805 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 144.93 29.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.221 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.87 -31.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.89 -94.64 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.84 -14.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.0 128.41 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.624 0.249 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.728 HD23 HG13 ' A' ' 37' ' ' VAL . 11.8 tp -74.6 149.07 40.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.073 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -89.63 -35.43 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.871 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.29 89.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.073 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.581 ' HB2' HD12 ' A' ' 4' ' ' LEU . 1.1 m0 -98.76 -16.9 18.76 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.171 0.51 . . . . 0.0 110.534 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.522 ' CA ' ' HB2' ' A' ' 4' ' ' LEU . . . -52.85 170.97 0.56 Allowed Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.997 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.523 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -72.86 -36.5 67.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 111.395 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.16 109.61 3.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.602 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 4.2 t -90.41 130.32 36.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -89.78 105.25 17.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 18' ' ' LEU . 96.2 t -107.84 138.44 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 91' ' ' THR . 8.1 m -137.59 151.88 48.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.244 0.545 . . . . 0.0 112.224 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 t -126.25 109.65 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.366 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.86 0.362 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.511 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.22 141.02 52.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.133 179.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.9 HD22 ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -114.61 177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.295 -178.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -142.57 121.07 12.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.692 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -101.68 133.22 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -132.59 161.62 33.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.181 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.27 -119.1 3.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.036 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.06 100.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.694 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -117.67 -175.51 17.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.88 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.52 107.7 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.48 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG21 ' HG ' ' A' ' 86' ' ' LEU . 2.9 m -123.13 164.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.222 0.534 . . . . 0.0 111.675 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 156.41 38.07 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.925 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.91 90.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.266 1.977 . . . . 0.0 112.256 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.68 -8.27 3.94 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.04 -131.18 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.582 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -175.03 149.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -136.81 149.62 47.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.626 ' HE ' HE22 ' A' ' 82' ' ' GLN . 17.6 ttm180 -128.63 104.73 7.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -105.82 161.81 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -140.02 165.36 27.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.34 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 37.2 t -154.77 105.22 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -84.62 107.32 16.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.9 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.88 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.3 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -122.53 121.73 37.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.99 -48.47 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.606 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.404 ' HZ ' ' SD ' ' A' ' 34' ' ' MET . 44.9 p90 -132.52 -171.39 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -118.9 142.16 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.393 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' HE2' HD13 ' A' ' 79' ' ' LEU . 5.4 m-85 -76.01 -169.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.293 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t 57.58 18.44 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 53' ' ' PRO . 40.2 t -151.54 -22.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -107.51 -179.06 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -117.86 103.51 10.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.633 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 27' ' ' PHE . 24.7 mmm -108.51 179.7 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.789 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -163.55 159.57 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.762 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD1' ' HB2' ' A' ' 81' ' ' LEU . 18.0 m95 -104.46 139.93 38.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.537 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.4 m -127.25 165.44 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.215 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.751 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 15.0 ttp180 -143.27 149.26 37.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.81 ' HB2' HD13 ' A' ' 45' ' ' LEU . 11.0 tt0 -146.77 119.93 8.87 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.176 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.063 0.458 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -160.49 126.12 3.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.451 -179.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.704 ' HA ' HG12 ' A' ' 37' ' ' VAL . 11.6 t90 -74.0 110.48 8.32 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.99 HG12 HG11 ' A' ' 64' ' ' VAL . 1.1 m -84.61 -58.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.4 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -130.83 155.87 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -139.08 133.63 31.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.834 178.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.757 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.8 tt -120.52 149.25 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.648 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.56 158.49 32.07 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HB2' ' H ' ' A' ' 54' ' ' GLY . 67.1 Cg_exo -51.09 -83.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.822 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' H ' ' HB2' ' A' ' 53' ' ' PRO . . . -113.79 -0.93 24.35 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.92 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -56.41 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.02 -24.31 25.33 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.92 146.66 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.85 145.99 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.461 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -131.42 140.52 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.592 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 13.2 m-85 -126.36 169.52 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -74.5 12.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.317 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 74.7 -31.36 0.21 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.429 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 61' ' ' ALA . 46.2 m -96.57 9.82 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.554 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.99 HG11 HG12 ' A' ' 48' ' ' VAL . 2.7 m -139.02 -3.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.277 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 5.8 tptp -59.5 123.03 15.51 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.58 -24.54 7.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.141 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 13.6 tpp180 -67.99 -55.53 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.128 0.49 . . . . 0.0 110.447 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 21.7 m-30 -113.74 165.17 12.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.953 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.6 m -125.38 120.98 32.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.379 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.757 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -102.67 118.73 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.493 0.663 . . . . 0.0 111.269 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -151.43 159.06 44.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.255 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.64 169.0 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.83 144.06 26.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 10.6 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.75 2.59 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.82 157.86 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -83.63 74.51 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -138.45 152.81 48.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.614 -179.535 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 72' ' ' ARG . 19.4 tp -124.33 124.62 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.093 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -114.86 161.79 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.354 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -156.66 135.96 12.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.853 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.626 HE22 ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -104.37 110.9 23.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.313 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.623 ' HB3' HD11 ' A' ' 86' ' ' LEU . 2.0 mtt -84.01 101.81 12.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -101.34 166.62 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 t 70.47 -71.77 0.12 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.051 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.636 ' HG ' HG21 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 61.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.28 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' HG3' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -172.08 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.987 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.493 ' H ' ' HG3' ' A' ' 87' ' ' LYS . 20.6 m -151.07 -44.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.545 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 9.1 pt-20 -58.99 -30.52 68.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.221 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 115' ' ' VAL . 32.5 t70 -62.94 -28.84 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.633 HG23 ' HA ' ' A' ' 114' ' ' THR . 4.8 m -67.61 89.73 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.787 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . . . -172.36 170.73 4.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 111' ' ' THR . 5.4 t -87.7 125.61 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.877 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 111' ' ' THR . 10.4 m-85 -104.6 150.0 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.119 0.485 . . . . 0.0 111.374 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HD1' HD11 ' A' ' 45' ' ' LEU . 1.1 m-85 -142.46 161.94 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.489 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 14.0 p -113.54 141.93 46.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.963 ' HB3' HD21 ' A' ' 104' ' ' LEU . . . -153.45 165.72 34.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.238 0.542 . . . . 0.0 112.347 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -91.58 152.39 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.858 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.55 115.31 22.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.422 . . . . 0.0 111.115 -179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -59.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.56 -81.22 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.58 10.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -130.21 -9.59 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 111.062 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 97' ' ' ALA . 3.0 tp 61.52 171.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -115.5 -33.62 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.97 117.59 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.217 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -129.65 -134.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.822 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 74.41 177.36 37.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.984 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.692 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.57 -51.67 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 111.05 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.21 99.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.742 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 94' ' ' TYR . 9.0 t -97.51 120.77 38.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.942 0.401 . . . . 0.0 110.695 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.41 116.21 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.557 HG13 HD13 ' A' ' 18' ' ' LEU . 87.9 t -108.62 118.21 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.09 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.633 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -116.97 148.67 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.275 0.56 . . . . 0.0 112.178 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 96.0 t -128.36 133.28 67.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.724 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.092 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.795 HG12 ' HA3' ' A' ' 26' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.968 0.414 . . . . 0.0 111.307 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.87 128.88 47.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.691 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -113.25 -176.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.373 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.659 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 32.2 tt0 -147.32 111.89 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.831 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -94.32 116.65 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.496 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -142.57 146.62 34.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.23 -5.74 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.51 138.39 49.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.393 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.839 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -134.17 -174.14 13.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.477 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.33 109.69 20.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.535 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 86' ' ' LEU . 2.3 m -121.75 -176.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 111.6 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -103.54 167.15 10.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.949 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.94 30.9 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.609 2.206 . . . . 0.0 112.72 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -173.14 31.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.364 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.29 -134.02 6.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 t -157.11 146.96 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.668 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 10' ' ' GLY . 8.0 tp -142.55 149.49 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -129.74 108.08 9.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 81' ' ' LEU . 22.2 m -104.81 147.59 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.293 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 p -128.8 166.32 19.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 78' ' ' THR . 3.6 t -147.65 104.87 3.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.23 100.35 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.879 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.66 175.84 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.327 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.5 103.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.795 ' HA3' HG12 ' A' ' 2' ' ' VAL . . . 163.49 -37.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.404 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.42 -175.31 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.65 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -85.13 -106.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -173.81 -62.35 0.02 OUTLIER 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.75 0.309 . . . . 0.0 111.261 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.2 t -62.78 -10.29 12.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -17.79 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.72 169.79 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 28.6 m80 -111.0 95.78 5.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.486 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.498 ' HE1' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -87.52 166.45 14.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 111.907 -178.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -160.02 155.55 25.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.7 ' HE1' HD22 ' A' ' 79' ' ' LEU . 23.0 m95 -104.98 148.19 26.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.828 ' CG2' HD23 ' A' ' 104' ' ' LEU . 1.1 t -123.3 165.41 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.574 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 25.7 ttp180 -157.49 137.69 12.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.841 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.2 tt0 -126.76 114.45 17.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.292 179.087 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 121.217 0.532 . . . . 0.0 111.323 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.83 134.42 14.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.492 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.684 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 1.1 t90 -71.87 111.76 7.39 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG12 HG11 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -79.64 -56.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.522 ' C ' ' HE1' ' A' ' 47' ' ' TRP . 0.7 OUTLIER -131.59 154.49 48.81 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.434 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 1.1 m -138.81 141.65 38.72 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.352 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.416 ' HB ' HG23 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -117.64 140.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.027 0.442 . . . . 0.0 111.651 -179.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -109.98 128.85 24.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.07 153.56 28.69 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.575 2.183 . . . . 0.0 112.636 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.74 -92.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.726 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.1 -44.23 83.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.76 40.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.124 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.86 158.61 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.18 142.1 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.967 0.413 . . . . 0.0 111.52 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.12 136.72 52.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.69 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 12.3 m-85 -127.03 172.42 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.036 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -75.52 16.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 1.1 m-20 76.53 -51.11 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.634 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -83.83 14.48 3.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.652 0.263 . . . . 0.0 111.192 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.712 HG11 HG12 ' A' ' 48' ' ' VAL . 2.0 m -139.99 0.85 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.615 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -53.07 -52.4 58.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.353 . . . . 0.0 110.613 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.49 27.4 20.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.759 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.74 HH21 ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -111.39 -57.0 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 111.075 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 97.3 m-85 -116.55 165.31 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.546 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 m -126.77 125.86 42.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.288 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 1.6 tt -103.2 131.26 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.552 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.19 166.11 34.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.784 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 29.2 ptt180 -160.99 155.97 24.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -100.37 127.97 46.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.98 151.37 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.07 19.01 5.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -138.28 118.46 13.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.44 HD22 ' HA ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -78.3 70.21 4.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 1.5 m -156.09 118.56 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 112.089 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 36' ' ' TRP . 1.4 mt -85.82 143.6 28.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.719 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.419 ' HE1' ' HB ' ' A' ' 78' ' ' THR . 62.4 m-85 -133.18 130.53 39.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 69' ' ' THR . 7.4 tt -127.11 136.78 52.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.606 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.554 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 36.6 tp60 -103.75 104.9 14.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.507 ' SD ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.73 -179.134 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 161.61 15.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.33 43.72 31.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.717 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 12' ' ' VAL . 2.1 mp -60.88 132.32 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.732 ' HG3' ' H ' ' A' ' 89' ' ' GLU . 14.2 ptpt -132.44 -166.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 t -62.21 -16.09 50.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.068 0.461 . . . . 0.0 110.389 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.74 ' HG2' HH21 ' A' ' 67' ' ' ARG . 4.2 tp10 -82.49 -39.63 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.486 ' CG ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -52.61 -28.41 21.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 114' ' ' THR . 96.9 m -63.95 90.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.432 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -170.24 -179.49 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.275 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 38.8 t -97.44 145.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.423 ' HH ' ' HZ ' ' A' ' 68' ' ' PHE . 22.4 m-85 -121.69 147.82 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 111.896 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 45' ' ' LEU . 35.9 m-85 -134.72 167.41 20.89 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.731 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 4.8 p -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.499 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.846 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -165.25 165.93 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.141 0.496 . . . . 0.0 111.913 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.68 151.24 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.983 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.539 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.37 113.26 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 111.222 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.17 10.97 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.42 -61.29 0.57 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.238 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.68 118.89 2.87 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.369 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.62 159.63 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.846 ' HG ' ' HB3' ' A' ' 97' ' ' ALA . 9.9 tp -98.85 156.52 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.038 0.447 . . . . 0.0 111.461 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.652 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 2.2 t0 -97.9 -30.76 12.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.082 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.34 108.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.899 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.652 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.3 m0 -125.74 -10.4 6.71 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 111.005 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' HA3' ' SG ' ' A' ' 96' ' ' CYS . . . -77.26 148.39 34.26 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.174 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.659 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 5.6 mm-40 -51.88 131.96 31.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.291 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.03 98.54 0.72 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.581 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 94' ' ' TYR . 6.1 t -71.8 137.71 47.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -90.65 103.01 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.839 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.503 HG11 ' HE1' ' A' ' 83' ' ' MET . 96.3 t -107.11 129.17 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.895 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 91' ' ' THR . 1.4 m -133.71 162.3 32.33 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 t -131.44 108.73 15.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.814 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.45 141.15 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.618 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -124.27 -174.59 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.745 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 0.7 OUTLIER -152.71 140.72 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 109' ' ' GLN . . . -125.37 164.64 19.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 111.741 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 23.2 t -176.75 169.13 2.53 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.86 13.81 7.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.716 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 144.25 45.7 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.65 176.08 26.67 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.4 OUTLIER -108.9 106.57 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -111.65 -178.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.59 41.31 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.17 82.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.493 2.129 . . . . 0.0 112.177 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.54 -21.61 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.161 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.52 -136.61 0.17 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.265 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -174.75 136.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -120.66 145.34 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.067 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' HE22 ' A' ' 82' ' ' GLN . 5.6 ttm-85 -122.81 107.54 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.541 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.632 HG21 HG21 ' A' ' 111' ' ' THR . 0.4 OUTLIER -103.69 168.45 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.0 111.439 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.502 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.3 p -144.92 165.35 28.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.741 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 35.5 t -144.72 113.31 6.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.382 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 104.82 17.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.096 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -87.51 170.09 11.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.287 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -151.03 125.39 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.703 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.34 -66.55 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.169 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -110.53 178.4 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.627 0.251 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -72.57 -119.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.958 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' HE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -169.7 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.817 ' HA ' HH12 ' A' ' 72' ' ' ARG . 2.8 t -68.98 -18.33 64.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t -82.34 -27.69 32.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -112.75 -168.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.645 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.16 151.45 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.141 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.489 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 1.4 mmt -143.94 163.68 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.219 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -162.92 154.97 18.29 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.553 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.676 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 32.8 m95 -111.66 115.18 28.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.476 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.051 HG12 ' HA ' ' A' ' 47' ' ' TRP . 15.5 m -102.34 163.47 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 8.9 ttp180 -138.64 148.07 43.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.409 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.518 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 24.4 tt0 -138.21 105.27 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HA ' ' CB ' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 46' ' ' GLU . 2.8 tt . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 121.062 0.458 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -160.26 126.17 4.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.22 179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 1.051 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.2 -24.01 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.606 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.813 HG22 HG11 ' A' ' 64' ' ' VAL . 2.6 t 55.99 -76.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 48' ' ' VAL . 60.5 p -134.08 149.03 51.1 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.596 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -134.99 145.12 47.81 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.938 179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.705 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.7 tt -123.92 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 0.0 111.315 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -84.65 144.93 43.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HA ' HH22 ' A' ' 72' ' ' ARG . 10.0 Cg_endo -51.61 121.74 9.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.686 2.257 . . . . 0.0 112.566 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' H ' HH22 ' A' ' 72' ' ' ARG . . . 94.42 20.25 30.28 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.55 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 53.97 64.28 1.89 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.01 -110.24 3.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.592 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -79.92 156.31 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.663 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.31 143.2 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.316 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HD2' HG22 ' A' ' 50' ' ' THR . 2.2 m-85 -132.23 128.19 37.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.549 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.671 ' HD2' HG23 ' A' ' 64' ' ' VAL . 13.2 m-85 -118.91 165.97 13.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -78.81 14.01 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.496 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 73.04 -27.93 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -89.72 -10.22 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.778 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.813 HG11 HG22 ' A' ' 48' ' ' VAL . 35.5 m -124.59 13.01 4.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 13.1 tptt -84.55 121.92 28.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.5 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.35 -11.1 65.36 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.853 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.511 ' H ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -108.23 -49.32 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.96 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 16.2 m-30 -104.89 152.31 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.109 0.48 . . . . 0.0 111.59 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 87.4 m -123.75 119.15 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.491 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.705 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.99 120.3 52.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.52 166.41 33.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.341 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.817 HH12 ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -159.16 -178.68 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.429 -179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.72 179.43 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -125.29 14.74 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.44 51.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -8.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.319 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.99 73.37 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -161.87 157.29 23.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 111.895 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.676 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -125.79 123.64 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.757 179.131 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 71.1 m-85 -118.44 125.83 50.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.611 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -125.54 138.24 53.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.549 HE22 ' HB2' ' A' ' 19' ' ' ARG . 18.4 tp60 -104.47 106.61 17.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 9.2 mtt -82.96 87.36 6.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -105.03 170.3 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.024 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.97 53.32 12.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' CB ' ' A' ' 90' ' ' ASP . 1.6 mp -72.09 168.91 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.508 ' HE2' ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -162.32 -49.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.621 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.85 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.508 ' HG2' ' HE2' ' A' ' 87' ' ' LYS . 8.4 pt-20 -60.03 -17.61 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.202 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -74.25 -32.79 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 179.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.642 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.1 m -63.79 92.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.853 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.39 -166.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.032 0.444 . . . . 0.0 111.489 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.32 126.96 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.746 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 22.3 m-85 -109.19 137.87 46.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HD1' HG23 ' A' ' 37' ' ' VAL . 1.3 m-85 -124.24 165.37 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -130.02 143.01 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -163.08 165.54 24.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.259 0.552 . . . . 0.0 112.208 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -87.33 141.13 28.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.436 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.86 171.43 13.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.21 -47.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -127.41 -83.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.54 -6.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.697 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.02 157.82 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 8.9 tp -98.45 154.54 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.714 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.9 OUTLIER -98.3 -35.58 10.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.233 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.17 111.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.901 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.714 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -132.07 -0.01 3.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -95.61 148.54 19.02 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.818 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.745 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -53.66 133.94 41.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.79 113.98 4.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.274 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.632 HG21 HG21 ' A' ' 20' ' ' VAL . 6.3 t -71.19 129.88 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.98 97.29 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -104.7 124.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.861 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.642 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.1 OUTLIER -124.38 160.69 27.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.749 -179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.56 101.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.641 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 27' ' ' PHE . 33.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.873 0.368 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.48 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.99 144.35 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -129.76 177.17 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.3 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.635 ' HB3' HE21 ' A' ' 109' ' ' GLN . 0.0 OUTLIER -145.12 121.7 11.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.526 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -100.04 145.77 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.466 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.663 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 12.3 t -169.1 179.27 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.635 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.12 -19.08 41.34 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.646 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.23 162.36 1.35 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.655 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' N ' HD11 ' A' ' 18' ' ' LEU . . . -169.95 -173.77 37.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.859 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.617 ' HA ' ' O ' ' A' ' 114' ' ' THR . 15.4 mt -97.66 127.39 43.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 86' ' ' LEU . 1.9 m -112.42 -174.69 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.599 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -107.73 123.26 38.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.208 178.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.14 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.25 2.633 . . . . 0.0 113.231 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 15.15 9.59 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.359 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.61 -133.45 7.88 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.73 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -159.18 158.36 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -153.37 124.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.371 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.547 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . 2.3 ttt-85 -104.78 121.51 43.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 83' ' ' MET . 3.2 m -116.4 162.29 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 58.0 p -138.27 161.0 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.372 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 78' ' ' THR . 50.0 t -133.61 113.79 12.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.245 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.29 91.63 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -93.23 175.51 6.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.733 ' HA ' HD22 ' A' ' 77' ' ' ASN . 0.5 OUTLIER 179.52 114.94 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.647 0.261 . . . . 0.0 111.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.88 0.42 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.755 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.671 ' HB3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -154.64 -24.55 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.522 0.661 . . . . 0.0 112.393 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.497 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 5.0 m 61.8 161.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 111.56 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 31' ' ' SER . 1.3 m-85 -105.25 -160.05 0.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.808 ' HA ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER 66.62 -7.24 0.46 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.021 -179.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 29' ' ' PHE . 38.2 m -134.04 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.785 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.57 171.16 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.259 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.87 132.67 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.313 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.504 ' HE1' HD13 ' A' ' 4' ' ' LEU . 1.1 mmt -126.91 168.81 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -163.57 149.4 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.085 0.469 . . . . 0.0 112.139 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.601 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 20.6 m95 -104.18 109.29 21.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' ' 47' ' ' TRP . 2.3 m -103.01 165.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 5.2 ttp180 -143.36 148.13 35.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.417 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 27.3 tt0 -136.03 113.33 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD21 ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 121.144 0.497 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.685 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -155.71 126.16 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.061 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.06 -26.6 16.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.799 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.685 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 23.6 t 58.52 -77.98 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 48' ' ' VAL . 82.8 p -133.14 148.7 52.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.627 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -133.97 145.56 49.64 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.119 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.58 HG21 ' HD3' ' A' ' 72' ' ' ARG . 4.0 tt -121.72 141.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.405 ' CG ' ' HD2' ' A' ' 53' ' ' PRO . 9.2 t-20 -88.49 143.73 32.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.226 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.59 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 76.4 Cg_exo -47.11 135.96 18.43 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.808 ' H ' ' HA ' ' A' ' 30' ' ' SER . . . 91.77 3.46 68.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.66 83.86 0.1 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.11 -90.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 140.83 49.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.714 0.292 . . . . 0.0 110.679 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.39 141.08 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 111.785 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.47 133.55 40.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.24 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.713 ' HB3' HG23 ' A' ' 64' ' ' VAL . 12.6 m-85 -120.27 167.04 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -72.62 12.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' TYR . 22.5 m-20 73.35 -24.57 0.2 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.537 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -98.89 -3.54 35.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -118.35 -1.67 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.275 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 20.8 mmmt -59.71 117.15 4.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.09 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -60.04 3.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.6 m-30 -116.66 165.08 13.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.4 m -127.2 120.73 29.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.575 HG12 ' HB ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -101.81 119.7 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.386 0.612 . . . . 0.0 111.174 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -151.08 165.69 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.026 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -160.71 177.73 10.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.919 0.39 . . . . 0.0 111.189 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.4 -32.24 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.36 -32.4 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -105.76 163.99 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.733 HD22 ' HA ' ' A' ' 25' ' ' SER . 5.4 m-20 -104.28 66.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -140.95 143.98 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 112.028 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 72' ' ' ARG . 11.7 tp -107.33 142.14 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' ' HE1' ' A' ' 36' ' ' TRP . 34.8 m-85 -128.03 154.51 45.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.166 0.507 . . . . 0.0 112.004 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 69' ' ' THR . 3.2 tp -153.1 133.86 13.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.718 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.547 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 37.5 tp60 -104.42 106.04 16.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.242 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.493 ' HE1' HG11 ' A' ' 20' ' ' VAL . 1.4 mtt -85.01 93.25 8.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.83 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 17' ' ' SER . 3.3 m-20 -103.55 84.33 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.501 ' H ' HD22 ' A' ' 86' ' ' LEU . 3.5 p -176.39 -93.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' SER . 0.4 OUTLIER 53.07 94.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.186 0.517 . . . . 0.0 110.542 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.12 43.84 2.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.245 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 57.44 17.19 3.66 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.205 0.526 . . . . 0.0 110.212 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -121.52 -34.09 3.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -59.47 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.436 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 114' ' ' THR . 3.8 m 44.07 91.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.44 172.53 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.345 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 111' ' ' THR . 24.4 t -85.76 144.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.175 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.634 ' O ' HG22 ' A' ' 111' ' ' THR . 26.9 m-85 -124.37 138.82 54.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.11 0.481 . . . . 0.0 111.464 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -135.97 165.24 26.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.162 179.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.671 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -121.01 137.24 54.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -145.92 160.98 41.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.158 0.504 . . . . 0.0 112.235 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.73 128.33 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.466 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -83.97 149.21 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.35 -59.2 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.12 -33.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.68 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.85 11.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.584 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.13 108.45 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 37' ' ' VAL . 7.5 tp -69.34 165.09 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.59 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -108.41 -27.53 9.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 61.27 109.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.948 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.59 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 4.8 m0 -128.7 -128.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 70.12 176.26 18.11 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.635 HE21 ' HB3' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -85.84 -36.8 19.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 107.75 96.43 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.65 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 9.4 t -94.05 135.33 35.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.08 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -84.81 106.03 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.31 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.03 113.62 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.75 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 91' ' ' THR . 23.0 m -133.09 148.07 52.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.893 0.378 . . . . 0.0 111.423 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -107.67 103.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.03 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.607 HG22 ' CZ3' ' A' ' 107' ' ' TRP . 4.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.8 160.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' ' 24' ' ' ALA . 42.4 mt -151.77 155.01 37.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -152.11 93.52 1.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' HG2' ' A' ' 109' ' ' GLN . . . -101.68 141.25 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.465 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -145.3 146.0 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.2 -0.97 2.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.641 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.81 94.13 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.917 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.08 -174.35 22.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.651 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 116' ' ' SER . 1.1 mm? -108.92 120.64 43.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.48 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 86' ' ' LEU . 19.2 m -127.01 -178.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.292 0.568 . . . . 0.0 111.542 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.88 148.95 72.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.453 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 97.4 Cg_exo -45.76 94.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.482 2.121 . . . . 0.0 112.473 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.44 12.12 5.79 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.607 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.45 -143.04 10.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -164.54 112.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB2' HG11 ' A' ' 12' ' ' VAL . 31.7 tp -112.94 148.37 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 19' ' ' ARG . 19.0 ttm180 -128.4 106.85 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 81' ' ' LEU . 11.0 m -103.91 147.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 p -124.78 165.62 17.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.019 0.437 . . . . 0.0 111.761 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -145.31 128.62 16.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.9 132.52 54.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.5 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.82 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -136.18 175.34 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 m -162.81 125.04 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.29 -2.37 1.54 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.163 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -158.27 -13.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.863 0.331 . . . . 0.0 111.47 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m 65.65 144.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 111.58 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 3.2 m-85 -88.82 -176.31 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m 59.59 5.68 0.7 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.627 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -126.74 -22.87 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.074 0.464 . . . . 0.0 110.235 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -117.23 -178.25 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.425 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -93.09 139.65 30.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 98' ' ' LYS . 92.1 mmm -138.4 159.53 41.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -165.12 156.06 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.287 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' HE1' ' HB3' ' A' ' 79' ' ' LEU . 29.2 m95 -106.5 143.0 35.25 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.642 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.836 HG12 ' HA ' ' A' ' 47' ' ' TRP . 19.3 m -126.78 165.78 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.923 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.501 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.6 ttp180 -143.38 151.34 40.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.156 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -133.8 104.27 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.863 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.098 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 45' ' ' LEU . 6.1 tp . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.27 130.82 7.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.467 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.836 ' HA ' HG12 ' A' ' 37' ' ' VAL . 3.3 t90 -81.01 110.18 16.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.954 HG12 HG11 ' A' ' 64' ' ' VAL . 2.0 m -79.45 -60.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.013 0.435 . . . . 0.0 111.716 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.638 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -129.97 152.48 49.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -129.56 151.47 50.14 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.06 179.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.779 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.6 tt -132.41 138.53 52.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.65 111.21 25.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.87 171.06 14.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.561 2.174 . . . . 0.0 112.248 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.46 3.81 90.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -161.48 -63.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.96 -3.99 9.81 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.275 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -58.07 133.53 55.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.806 0.336 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.02 136.15 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.499 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -125.45 134.34 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 4.8 m-85 -116.69 174.29 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 64' ' ' VAL . . . -77.36 11.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.949 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 76.29 -42.54 0.44 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 16.9 7.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.954 HG11 HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -139.34 -5.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.35 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.653 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -66.4 137.91 57.2 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.76 -0.88 48.76 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.069 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -99.09 -65.77 0.94 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.335 0.588 . . . . 0.0 110.235 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -104.73 160.42 14.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 22.8 m -121.8 114.07 20.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.779 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.35 121.26 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.689 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.2 t -158.58 158.0 33.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.667 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.67 174.42 10.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.89 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.98 156.41 18.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.21 29.01 17.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -86.76 82.1 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -151.74 142.09 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.186 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB3' ' HE1' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -121.27 136.23 55.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.421 179.034 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -126.44 140.79 52.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 0.0 111.771 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.0 tp -132.83 130.03 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.37 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.518 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 34.7 tp60 -103.69 105.17 15.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.731 ' HE1' HG21 ' A' ' 113' ' ' VAL . 16.8 mtt -82.64 100.73 10.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 172.46 7.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 m 54.06 47.39 23.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.377 . . . . 0.0 110.763 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.695 HD22 ' H ' ' A' ' 86' ' ' LEU . 1.1 mm? -69.1 154.4 42.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.112 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HG2' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -153.11 -48.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.005 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.572 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -175.46 -49.55 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.991 0.424 . . . . 0.0 111.013 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.04 -20.91 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.626 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.576 ' OD2' HG21 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -62.97 -32.93 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.743 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.836 HG23 ' HA ' ' A' ' 114' ' ' THR . 24.6 m -66.07 101.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.283 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.62 178.9 0.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.5 t -90.49 133.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.836 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.537 ' O ' HG22 ' A' ' 111' ' ' THR . 27.6 m-85 -116.17 154.56 29.82 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.297 0.57 . . . . 0.0 112.384 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.528 ' HD1' HG23 ' A' ' 37' ' ' VAL . 3.6 m-85 -144.63 165.3 28.4 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.183 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.621 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.01 107.66 7.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.682 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -125.61 169.6 12.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 111.962 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.3 OUTLIER -82.78 139.37 33.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.237 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.554 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.69 166.08 18.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.047 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -127.18 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.97 -21.16 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.809 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 173.14 29.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.833 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.7 142.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.669 0.271 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 37' ' ' VAL . 10.1 tp -89.97 155.31 19.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.945 0.403 . . . . 0.0 111.229 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -101.64 -33.64 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.315 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.96 119.1 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.614 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 5.6 m0 -111.61 -85.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -103.35 -146.44 16.82 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.758 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.615 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 6.9 mt-30 76.75 -132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.239 0.616 . . . . 0.0 111.871 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.508 ' HA2' ' CE2' ' A' ' 95' ' ' TYR . . . 110.29 55.62 0.53 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.9 t -84.17 130.47 34.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 111.345 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -93.08 108.6 20.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.731 HG21 ' HE1' ' A' ' 83' ' ' MET . 79.0 t -104.56 129.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.918 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.836 ' HA ' HG23 ' A' ' 91' ' ' THR . 26.3 m -134.55 145.14 48.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 112.208 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.576 HG21 ' OD2' ' A' ' 90' ' ' ASP . 40.1 t -115.27 112.24 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.967 0.413 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 138.62 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -110.51 161.01 16.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 111.492 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.723 ' HG3' HE21 ' A' ' 109' ' ' GLN . 42.3 tt0 -117.44 108.5 15.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.232 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 134.93 33.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.709 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -162.14 174.09 13.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.34 30.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.79 120.0 19.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.641 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.45 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -125.8 -174.37 13.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.746 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -114.48 128.35 56.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -136.18 -173.18 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.69 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.645 ' N ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -129.31 156.93 77.63 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.543 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 73.3 Cg_exo -49.21 106.14 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.383 2.055 . . . . 0.0 112.185 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.18 6.14 27.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.13 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -148.65 7.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.625 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.92 112.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.801 0.334 . . . . 0.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 HD21 ' H ' ' A' ' 10' ' ' GLY . 14.9 tp -122.72 129.55 51.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HB2' HE22 ' A' ' 82' ' ' GLN . 2.3 ttm180 -104.61 116.71 32.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 ' HE1' ' A' ' 83' ' ' MET . 33.3 m -105.69 149.63 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -122.39 164.36 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 0.0 111.535 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -147.96 104.52 3.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.69 166.0 16.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -166.92 158.21 12.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 101.3 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.161 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.99 6.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.044 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -167.88 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.896 0.348 . . . . 0.0 111.803 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 64.06 159.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.52 -164.97 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB2' ' HA ' ' A' ' 74' ' ' ASN . 20.2 t 59.61 14.17 3.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.17 -37.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -106.7 157.2 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 5.1 m-70 -92.17 95.04 9.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.609 ' HE1' HD13 ' A' ' 4' ' ' LEU . 6.1 mmm -84.21 172.11 12.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.698 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -150.51 153.96 36.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.626 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 12.1 m95 -104.29 108.86 20.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.319 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.622 ' CG1' ' HG ' ' A' ' 45' ' ' LEU . 1.4 t -100.7 166.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.458 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.635 ' HG2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -149.51 152.4 35.52 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 112.144 -178.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.699 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 2.1 tt0 -138.3 128.24 25.45 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.802 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.118 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 95' ' ' TYR . 1.2 tp . . . . . 0 CA--C 1.517 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 1.6 tt0 -129.66 122.02 28.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.111 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' HD1' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -55.59 -28.16 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.157 -179.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.663 HG13 HG11 ' A' ' 64' ' ' VAL . 37.3 t 55.13 -77.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' N ' HG12 ' A' ' 48' ' ' VAL . 29.5 m -131.05 155.16 47.36 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.521 ' CB ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -146.63 136.19 23.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.887 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.478 HG12 ' NH1' ' A' ' 72' ' ' ARG . 1.6 tt -116.47 140.46 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 111.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -117.1 116.43 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.802 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.47 166.22 26.41 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.57 2.18 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.72 -77.35 1.05 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.652 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.81 -7.53 4.18 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.165 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.26 136.43 48.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.33 157.19 26.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.641 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -131.46 129.93 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.289 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 64' ' ' VAL . 23.5 m-85 -126.6 158.92 35.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.295 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.61 20.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 60' ' ' TYR . 9.3 t70 75.9 -57.07 0.58 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.545 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.05 30.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -148.44 -11.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 7.9 tptt -54.42 -32.57 57.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.95 3.71 22.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.595 ' NE ' ' HE3' ' A' ' 87' ' ' LYS . 2.2 tpp180 -96.42 -65.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.402 . . . . 0.0 110.993 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.683 ' HB3' HD21 ' A' ' 81' ' ' LEU . 67.3 m-85 -109.09 161.01 15.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.218 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 17.7 m -123.36 128.03 49.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.2 OUTLIER -101.2 136.32 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.159 0.504 . . . . 0.0 110.582 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -147.22 161.76 40.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.492 HH11 ' HB3' ' A' ' 72' ' ' ARG . 1.4 ttp-105 -166.13 142.2 4.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -87.27 142.09 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.563 179.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.612 ' HA ' ' HB2' ' A' ' 30' ' ' SER . 0.1 OUTLIER -88.66 46.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.46 -69.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.319 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -79.64 146.15 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.77 84.5 4.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -155.41 156.5 35.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.074 0.464 . . . . 0.0 111.759 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 72' ' ' ARG . 19.8 tp -131.28 126.16 34.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -120.22 150.02 41.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 111.766 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -140.35 142.61 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.241 178.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.478 HE22 ' HB2' ' A' ' 19' ' ' ARG . 8.7 tp60 -103.84 107.97 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' ' HD1' ' A' ' 68' ' ' PHE . 12.0 mtt -85.3 99.95 11.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -122.38 170.04 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.49 32.95 21.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.204 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 86' ' ' LEU . 3.1 mp -61.93 127.01 29.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.64 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.613 ' HG2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -116.26 -44.87 2.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.613 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 2.1 t 177.93 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.325 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -22.94 67.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.003 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 86' ' ' LEU . 1.3 m-20 -59.99 -45.62 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 114' ' ' THR . 10.0 m -46.69 99.25 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.025 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . 179.74 174.14 0.86 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.317 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' THR . 25.0 t -92.45 140.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.455 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 111' ' ' THR . 39.9 m-85 -115.88 136.57 52.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 112.663 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.736 ' CE2' HD11 ' A' ' 45' ' ' LEU . 54.9 m-85 -115.82 168.99 9.56 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.848 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HE3' ' A' ' 34' ' ' MET . 2.9 p -142.36 141.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . . . -162.79 166.52 24.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 5.1 tttt -84.79 148.08 26.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.828 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -88.04 134.28 33.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.04 136.02 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.995 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.76 -7.34 55.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.28 -3.46 64.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.62 128.69 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -66.49 149.16 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.804 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' H ' HD13 ' A' ' 104' ' ' LEU . . . 65.85 115.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.722 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -124.44 -130.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.025 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 68.42 176.37 11.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.73 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.723 HE21 ' HG3' ' A' ' 5' ' ' GLN . 16.3 mt-30 -95.92 -18.55 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.595 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.13 106.36 2.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.375 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 10.6 t -93.93 132.25 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.453 ' HA ' HE21 ' A' ' 112' ' ' GLN . 0.1 OUTLIER -84.76 104.07 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.51 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.507 HG22 ' HA2' ' A' ' 9' ' ' GLY . 76.8 t -114.15 116.77 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.43 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 91' ' ' THR . 1.8 m -129.61 145.11 51.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.9 p -120.62 104.31 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.052 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 t -119.96 116.79 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.268 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.9 tm0? -120.36 138.63 53.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -127.24 166.11 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -134.26 133.93 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.759 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -121.47 150.56 41.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.047 0.451 . . . . 0.0 111.777 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.455 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -171.82 -178.21 2.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.764 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.89 9.55 30.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.804 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -64.63 142.33 45.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -141.01 -174.65 14.21 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.838 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -110.77 112.4 24.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.661 0.267 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 HD12 ' A' ' 18' ' ' LEU . 11.4 m -117.41 -178.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.975 0.417 . . . . 0.0 111.558 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -115.32 153.98 47.5 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.005 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -51.69 90.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.099 . . . . 0.0 112.36 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.46 4.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.54 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -92.85 -138.38 8.61 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.548 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 83' ' ' MET . 63.5 p -162.05 130.97 4.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -129.09 132.08 47.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.961 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -104.73 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 HD22 ' A' ' 18' ' ' LEU . 1.4 m -107.89 153.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.7 p -142.94 165.14 28.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 112.042 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 43.0 t -144.33 111.29 5.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.906 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.57 109.87 18.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.266 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.638 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -90.84 169.74 10.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.32 107.35 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.01 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.64 -25.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.904 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.473 ' HD1' ' N ' ' A' ' 28' ' ' THR . 6.6 p90 -152.31 -166.94 2.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 111.202 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.473 ' N ' ' HD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -115.14 143.87 44.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.93 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.781 ' HB3' ' HD2' ' A' ' 72' ' ' ARG . 17.2 m-85 -70.29 -40.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.882 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.23 30.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 29' ' ' PHE . 29.4 t -150.71 -34.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.36 155.44 22.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.92 134.38 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.765 ' HE1' HD13 ' A' ' 4' ' ' LEU . 2.1 mmm -133.54 166.32 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB3' HD11 ' A' ' 104' ' ' LEU . . . -156.83 164.87 37.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 112.334 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.511 ' NE1' ' HG ' ' A' ' 79' ' ' LEU . 13.5 m95 -113.92 114.17 25.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.277 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.05 HG13 HD12 ' A' ' 104' ' ' LEU . 4.6 m -104.96 165.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' HD12 ' A' ' 45' ' ' LEU . 2.1 ttp180 -144.16 151.59 39.74 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.739 0.304 . . . . 0.0 111.042 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 45' ' ' LEU . 3.8 tt0 -142.98 105.55 4.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.453 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.698 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -74.21 168.8 23.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.698 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 49.7 Cg_exo -31.8 93.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.849 2.366 . . . . 0.0 112.344 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . 93.41 -91.89 1.55 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 2.0 tttt 41.38 -155.74 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.106 0.479 . . . . 0.0 112.168 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.61 29.98 1.16 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.566 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 38' ' ' ARG . 4.8 tp 66.55 142.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -142.41 133.68 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.627 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.686 ' HA ' HG12 ' A' ' 37' ' ' VAL . 15.7 t90 -76.96 108.94 10.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG12 ' OG ' ' A' ' 49' ' ' SER . 14.7 t -80.95 -53.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.809 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.682 ' OG ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -142.18 153.08 43.76 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.579 ' HB ' ' CZ2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -138.76 134.47 33.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.333 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -114.13 142.22 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' SER . 4.7 t-20 -107.29 134.22 20.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.7 137.53 16.23 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.582 2.188 . . . . 0.0 112.309 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.48 -100.87 1.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.702 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.229 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.64 7.51 2.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.717 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 52' ' ' ASN . 17.1 m -51.63 113.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.778 0.323 . . . . 0.0 110.522 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.22 144.99 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 112.073 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -134.69 140.82 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.838 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.531 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 15.9 m-85 -128.72 172.33 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.07 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -76.33 16.59 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER 75.55 -56.33 0.61 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.592 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -79.82 16.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.273 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 61' ' ' ALA . 4.4 m -145.23 1.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -56.44 -42.05 77.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.93 0.395 . . . . 0.0 110.398 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 20.94 32.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.641 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 64' ' ' VAL . 2.2 tpp85 -112.4 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.61 ' HB3' HD11 ' A' ' 81' ' ' LEU . 77.9 m-85 -104.35 155.92 18.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 81' ' ' LEU . 36.9 m -121.36 118.02 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.701 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 49' ' ' SER . 0.5 OUTLIER -100.74 118.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.481 0.658 . . . . 0.0 111.097 -179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -143.72 165.34 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.389 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.781 ' HD2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -161.51 170.38 20.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.247 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -100.51 139.9 35.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.838 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.68 2.23 17.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.57 69.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -167.64 -16.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.85 66.88 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -159.38 148.3 18.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.622 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.549 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 15.4 tp -121.66 114.31 20.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.394 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 30.1 m-85 -105.01 156.66 17.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.457 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 69' ' ' THR . 9.2 tp -148.47 139.49 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.364 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.698 ' HB3' HD21 ' A' ' 84' ' ' ASN . 3.1 tp60 -103.85 118.23 36.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.535 ' SD ' HG11 ' A' ' 113' ' ' VAL . 3.5 mtt -95.42 92.23 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.14 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.698 HD21 ' HB3' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -116.69 162.92 16.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.41 54.56 8.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.612 HD22 ' H ' ' A' ' 86' ' ' LEU . 1.8 mm? -66.3 160.56 24.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.001 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.24 45.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m 61.62 9.7 2.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -99.52 -41.46 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' HD12 ' A' ' 86' ' ' LEU . 10.1 t0 -58.61 -23.68 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.63 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 114' ' ' THR . 62.6 m -60.31 95.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.286 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HB3' ' HG3' ' A' ' 38' ' ' ARG . . . -175.06 -163.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 9.6 t -112.48 126.09 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.231 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.638 ' O ' HG22 ' A' ' 111' ' ' THR . 12.1 m-85 -107.29 146.95 30.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.277 0.56 . . . . 0.0 112.244 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.48 164.78 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.94 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.688 ' O ' HD12 ' A' ' 4' ' ' LEU . 9.1 p -120.98 138.4 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.891 ' HB3' HD13 ' A' ' 104' ' ' LEU . . . -150.69 165.35 33.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.206 0.527 . . . . 0.0 111.986 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.546 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 26.2 ttmt -88.37 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.036 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 130.13 35.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 m -143.49 57.79 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.2 -85.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 7.57 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.72 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.62 156.9 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.732 0.301 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.05 HD12 HG13 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -97.71 149.49 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -97.33 -32.03 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.618 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.43 111.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.914 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 2.1 m0 -126.61 4.44 6.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.375 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -69.79 174.61 35.85 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.667 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' H ' ' H ' ' A' ' 6' ' ' ALA . 8.4 mm-40 -77.33 -55.04 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.079 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.96 96.97 0.74 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.788 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 94' ' ' TYR . 3.1 t -86.01 122.37 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.63 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -84.45 102.55 12.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.398 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 18' ' ' LEU . 86.1 t -108.41 128.81 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.418 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 91' ' ' THR . 13.2 m -135.74 150.78 49.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 0.0 112.028 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.89 128.51 73.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.12 -176.6 4.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.34 143.99 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 56.19 55.83 6.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -129.09 50.95 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -93.92 9.74 36.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 151.65 47.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.402 ' H ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -157.8 -13.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.402 ' H ' ' H ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER 63.33 111.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.578 HG23 ' H ' ' A' ' 125' ' ' SER . 1.4 tp -131.38 -58.74 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.578 ' H ' HG23 ' A' ' 124' ' ' ILE . 0.7 OUTLIER 53.43 42.17 32.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.544 ' H ' HG13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -164.75 16.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.966 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.69 ' HG2' ' HG ' ' A' ' 129' ' ' LEU . 3.1 tt0 61.31 109.04 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.15 -28.8 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.283 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.69 ' HG ' ' HG2' ' A' ' 127' ' ' GLU . 19.5 mt 56.48 -147.24 0.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.566 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -152.7 -59.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 111.073 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.42 29.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.94 9.18 23.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.53 133.82 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 23.09 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.978 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.457 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.725 0.298 . . . . 0.0 111.262 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.457 ' H ' ' HB3' ' A' ' 1' ' ' ASP . 0.2 OUTLIER -50.82 124.16 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.76 139.86 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.235 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.0 OUTLIER -117.48 158.6 24.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 4.8 mt-30 -126.67 112.66 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -96.51 137.96 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.746 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 1.5 t -162.48 -176.31 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.8 1.51 52.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.67 153.17 41.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.264 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.39 -174.27 23.51 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.406 -0.902 . . . . 0.0 113.354 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 125.61 50.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.649 -0.276 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG21 HD22 ' A' ' 86' ' ' LEU . 3.8 m -124.84 -174.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 111.628 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.15 147.47 44.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.833 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.83 91.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.229 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.08 22.41 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.545 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.76 -134.77 7.69 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.644 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.74 130.11 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.519 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -128.03 158.33 38.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.536 ' HB2' HE21 ' A' ' 82' ' ' GLN . 0.0 OUTLIER -144.33 104.41 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG23 ' CH2' ' A' ' 36' ' ' TRP . 4.2 m -108.7 154.78 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB3' ' CD2' ' A' ' 80' ' ' TYR . 51.9 p -133.26 165.22 25.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.926 0.393 . . . . 0.0 111.807 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' THR . 12.6 t -135.6 116.34 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.91 114.62 25.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.269 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -112.51 170.54 8.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 t -172.6 111.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.36 14.88 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.07 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.06 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.903 0.351 . . . . 0.0 111.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.6 m 65.1 144.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.411 . . . . 0.0 111.403 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 79' ' ' LEU . 3.5 m-85 -89.17 179.06 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.51 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 1.4 p 58.38 14.59 3.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -115.45 -25.48 7.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.54 -178.08 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -97.96 92.48 5.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.176 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.549 ' HE1' HD13 ' A' ' 4' ' ' LEU . 22.8 mmm -83.59 -178.01 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.765 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB2' ' OG1' ' A' ' 50' ' ' THR . . . -165.55 155.31 12.68 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 10.8 m95 -105.6 116.78 32.53 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.802 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.948 HG13 ' HA ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -101.93 165.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.689 -178.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 HH21 ' HG2' ' A' ' 46' ' ' GLU . 2.7 ttp180 -158.91 130.95 6.6 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.27 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 17.6 tt0 -116.78 116.46 27.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.103 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . . . -77.57 152.94 81.17 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.888 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.95 -28.1 17.88 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.154 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.4 42.26 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.193 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -142.67 -172.08 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.14 54.02 0.79 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.28 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.561 ' C ' HD23 ' A' ' 45' ' ' LEU . 3.5 tt 64.66 153.38 0.06 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.475 0.655 . . . . 0.0 111.021 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -150.0 120.51 7.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.185 179.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.948 ' HA ' HG13 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -49.43 -25.88 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.651 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 36' ' ' TRP . 8.0 t 59.04 -75.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 83.4 p -144.56 153.54 41.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -133.55 143.87 48.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.715 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.1 tt -121.91 149.69 25.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.768 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.61 153.53 38.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.644 ' HA ' HH21 ' A' ' 72' ' ' ARG . 38.1 Cg_endo -65.85 135.7 42.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.42 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.66 34.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.1 73.9 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.794 0.331 . . . . 0.0 110.616 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.28 -144.34 10.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.753 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -65.05 -165.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.714 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.53 141.07 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 111.762 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.78 132.2 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.093 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.48 ' CG ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-85 -116.42 179.47 3.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.98 0.419 . . . . 0.0 111.233 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -79.3 13.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.698 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 71.41 -12.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.497 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -110.22 1.51 18.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.429 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -135.58 -1.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.062 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 7.0 tptp -46.82 -57.82 4.52 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.788 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.86 37.24 3.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.666 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.29 -65.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 14.9 m-85 -109.76 165.36 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.126 0.488 . . . . 0.0 111.534 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 52.9 m -124.2 117.46 24.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.221 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.715 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.31 110.85 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.331 0.586 . . . . 0.0 111.172 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.03 165.41 27.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.541 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.667 ' HB3' HD12 ' A' ' 79' ' ' LEU . 2.9 ptt180 -151.45 174.4 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.19 177.46 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.572 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 41.51 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.011 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.93 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -70.21 163.8 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.507 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 2.7 m-20 -95.35 90.69 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.722 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -162.65 163.2 27.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.407 0.622 . . . . 0.0 112.395 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' A' ' 29' ' ' PHE . 13.9 tp -138.58 126.6 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.475 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 21.1 m-85 -116.03 152.24 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 111.988 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 69' ' ' THR . 4.4 tp -146.75 133.9 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.953 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.536 HE21 ' HB2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -104.52 119.08 38.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.499 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -84.9 100.66 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.48 163.38 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.7 38.03 29.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.8 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 12' ' ' VAL . 1.2 mp -61.51 143.57 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.664 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -135.3 -57.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.667 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.1 t -173.42 -20.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.664 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 7.4 tt0 -73.39 -39.39 65.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.46 ' OD2' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -51.21 -29.97 15.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.571 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 114' ' ' THR . 35.5 m -60.71 90.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.5 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.58 -171.06 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 7.7 t -97.52 149.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.645 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.543 ' HB2' HG23 ' A' ' 111' ' ' THR . 27.7 m-85 -124.16 126.41 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 111.999 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.487 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 22.5 m-85 -107.45 167.85 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.093 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 p -137.62 138.39 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -164.48 165.94 20.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 5.1 ttmt -93.53 142.25 27.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.602 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -84.94 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -162.09 130.85 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.52 -9.93 60.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.14 9.17 42.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.431 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.97 137.97 22.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 37' ' ' VAL . 11.1 tp -79.39 156.51 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.576 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -110.99 -34.2 6.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.467 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.61 96.74 0.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.921 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.576 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.2 m0 -113.77 2.72 15.26 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 153.12 40.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.455 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -65.6 -27.99 68.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.47 110.4 2.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.746 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -102.97 133.44 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.076 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -84.79 107.35 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.718 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.2 t -112.36 137.76 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.288 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.671 HG23 HG23 ' A' ' 91' ' ' THR . 47.8 m -142.29 154.28 44.59 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG13 HG23 ' A' ' 12' ' ' VAL . 5.9 t -125.61 121.88 61.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.78 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.525 ' HB3' ' H ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -159.7 -117.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.525 ' H ' ' HB3' ' A' ' 116' ' ' SER . 23.7 t 69.62 -13.75 0.38 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 116' ' ' SER . 1.3 pt20 -168.05 166.87 12.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.0 t -66.33 155.78 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.62 97.81 11.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 -176.63 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -90.0 48.53 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 140.51 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 127' ' ' GLU . 18.4 pt -79.29 8.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 p 57.83 -177.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 55.66 -93.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.506 ' HG3' ' H ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -115.33 128.19 55.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.803 0.335 . . . . 0.0 110.779 179.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.59 32.91 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.506 ' H ' ' HG3' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -150.44 -165.75 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.896 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -107.8 -173.07 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -93.85 121.92 35.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.035 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.36 135.37 17.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.61 -178.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.403 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 55.4 85.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.888 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -80.86 154.67 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.7 tt0 -126.4 157.28 38.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.395 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -132.43 174.97 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.278 -178.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 117.35 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . . . -109.92 139.69 44.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.331 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.576 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 3.9 t -168.33 -179.21 3.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.92 -8.3 33.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.24 172.12 22.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.491 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.47 39.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.937 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -97.9 117.92 33.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.751 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 18' ' ' LEU . 8.3 m -117.65 -174.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -116.36 148.68 42.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.053 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.03 91.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.508 2.138 . . . . 0.0 112.478 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.66 18.28 4.46 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.806 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.613 ' H ' HD23 ' A' ' 86' ' ' LEU . . . -91.78 -139.69 8.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.378 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.62 126.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HG13 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -132.17 132.5 43.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 111.428 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 19' ' ' ARG . 5.4 ttm180 -104.79 106.8 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.29 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG23 ' CH2' ' A' ' 36' ' ' TRP . 2.3 m -105.53 149.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.109 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 4.2 p -129.88 165.72 21.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.818 0.342 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 52.4 t -149.46 114.72 5.48 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.508 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.85 179.61 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.557 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -164.18 150.75 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.392 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.87 131.76 44.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.43 -33.44 2.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.64 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 2' ' ' VAL . 33.5 p90 -150.96 -175.02 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 1.3 m -72.53 -116.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.507 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 0.3 OUTLIER -177.52 -54.9 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 1.1 m -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.472 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -50.25 -22.68 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -107.82 163.02 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 111.494 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.619 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -96.76 104.02 15.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.117 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.3 mmt -93.03 160.01 15.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.264 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.665 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -149.78 147.04 27.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.899 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 79' ' ' LEU . 45.9 m95 -104.2 107.27 18.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.887 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.082 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.2 m -103.65 165.57 3.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.42 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.64 150.78 36.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.953 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.58 HE21 ' HB2' ' A' ' 45' ' ' LEU . 17.2 tt0 -126.37 113.7 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.51 152.66 43.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.88 97.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.559 2.173 . . . . 0.0 112.381 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.64 36.2 6.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -119.5 -176.07 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.732 0.301 . . . . 0.0 111.089 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.3 18.63 13.67 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.721 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 106' ' ' ALA . 13.6 tp 65.72 124.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.117 0.484 . . . . 0.0 111.417 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.846 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 8.1 tp10 -114.19 139.17 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 1.082 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -65.49 -25.57 67.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.846 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 17.5 t 56.58 -77.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.5 m -125.39 146.35 49.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.223 0.824 . . . . 0.0 113.223 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.505 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -142.16 134.07 27.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.807 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 tt -116.54 141.58 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 111.528 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -114.74 130.16 24.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 30' ' ' SER . 72.3 Cg_endo -74.79 176.16 10.2 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.556 2.171 . . . . 0.0 112.665 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.14 -70.43 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.821 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -76.62 -76.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.65 0.262 . . . . 0.0 111.237 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.74 -5.1 4.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.055 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.5 m -59.71 -178.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.715 0.293 . . . . 0.0 110.69 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.02 157.99 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HD1' HG22 ' A' ' 50' ' ' THR . 4.3 m-85 -136.13 121.91 19.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.294 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.665 ' HB3' HG23 ' A' ' 64' ' ' VAL . 28.4 m-85 -120.81 162.67 19.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -73.85 9.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.16 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 15.6 m-20 75.79 -43.5 0.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t -80.97 7.64 10.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.459 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' A' ' 60' ' ' TYR . 1.6 m -126.68 -8.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.139 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.87 128.3 35.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.167 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.32 -21.43 10.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.589 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.462 ' CZ ' ' HE2' ' A' ' 87' ' ' LYS . 8.0 tpp180 -79.06 -63.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.484 ' HB3' HD11 ' A' ' 81' ' ' LEU . 17.8 m-30 -111.79 152.54 27.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.167 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.693 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 37.2 m -118.29 118.3 31.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.202 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -101.02 124.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.62 -179.257 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -135.09 165.67 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.985 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 3.9 ttp180 -146.17 163.29 35.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.996 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 6.4 t70 -113.61 131.17 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -88.41 31.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.79 16.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.709 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -170.9 167.25 7.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -99.77 78.62 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -152.27 142.9 22.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.961 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -109.71 144.9 37.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.237 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -132.3 149.28 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.46 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.8 tp -153.18 135.12 14.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.078 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.47 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 6.9 tp-100 -103.57 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.459 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -87.27 96.32 10.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.31 166.71 12.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.62 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.7 44.22 26.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.954 0.407 . . . . 0.0 110.683 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.765 HD22 ' H ' ' A' ' 86' ' ' LEU . 1.3 mm? -60.86 146.68 45.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HE2' ' CZ ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -158.38 51.21 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m 65.54 3.04 2.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HG3' HH12 ' A' ' 38' ' ' ARG . 0.3 OUTLIER -92.92 -36.99 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 110.189 179.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 86' ' ' LEU . 4.5 t70 -66.9 -18.96 65.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.827 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.6 m -61.44 95.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.619 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -177.34 -167.6 0.17 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.065 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 21.7 t -109.22 125.01 66.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.989 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 111' ' ' THR . 18.2 m-85 -104.78 141.36 36.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.466 0.65 . . . . 0.0 112.657 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -134.97 165.49 25.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.641 178.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.721 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -129.39 142.36 50.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.587 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -153.25 165.22 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.45 144.03 28.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.367 179.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.619 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.01 149.15 23.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.015 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.22 -43.22 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.798 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.94 -79.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -133.34 3.38 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.638 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.91 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.615 0.245 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 35' ' ' ALA . 13.3 tp -110.48 158.24 18.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.058 0.456 . . . . 0.0 111.432 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.665 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -98.18 -11.99 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.233 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.654 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . 76.52 -56.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.665 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 48.8 m0 44.53 -151.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.649 0.261 . . . . 0.0 111.209 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.6 169.45 17.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.462 ' H ' ' H ' ' A' ' 6' ' ' ALA . 31.3 mt-30 -84.56 -39.24 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.092 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 113.37 93.45 2.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.946 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.4 t -86.12 127.44 34.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 110.4 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -84.85 108.86 17.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.529 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 133.13 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 91' ' ' THR . 2.5 m -139.63 154.87 47.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.449 . . . . 0.0 111.801 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.43 141.11 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p -159.49 151.38 20.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 111.194 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.2 109.96 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.593 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 63.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.59 62.94 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.71 21.69 9.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.793 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -140.82 124.45 16.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.0 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.39 175.39 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.06 70.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 127' ' ' GLU . 15.1 mt 54.8 86.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.1 t -94.62 -43.07 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.56 63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.709 ' HB2' HG23 ' A' ' 124' ' ' ILE . 8.4 mm-40 -132.39 -45.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.0 13.64 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 129' ' ' LEU . 1.5 mm? -128.95 -129.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.436 ' HB3' ' H ' ' A' ' 131' ' ' HIS . 1.2 m-20 60.69 -97.85 0.07 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.531 0.205 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.436 ' H ' ' HB3' ' A' ' 130' ' ' ASN . 0.0 OUTLIER -131.21 170.75 14.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.977 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -78.31 -19.58 53.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.704 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 119.38 24.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -84.49 -30.54 25.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' HB ' ' CZ3' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -126.08 118.79 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 136.42 54.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.836 HD13 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -110.36 165.64 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.141 0.496 . . . . 0.0 111.894 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -143.41 87.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.981 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.523 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -84.79 138.62 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.059 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.77 165.68 14.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.469 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.98 26.78 3.42 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -85.29 124.55 6.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.671 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.99 -174.51 16.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.602 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.67 124.11 50.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -130.54 -174.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.528 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.521 ' H ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -114.34 155.19 46.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.744 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.91 92.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.325 2.017 . . . . 0.0 112.386 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 12.12 5.78 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.747 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 -135.44 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -164.88 134.52 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -133.93 146.75 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.728 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -124.81 109.39 13.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG22 ' HB3' ' A' ' 81' ' ' LEU . 4.5 m -109.61 159.09 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -139.97 165.23 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.011 0.434 . . . . 0.0 111.566 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.56 111.08 5.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.88 132.4 33.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.358 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 77' ' ' ASN . . . -135.44 170.59 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.18 137.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.56 2.08 6.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.799 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.9 -12.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.289 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.535 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 36.8 m 65.14 141.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.656 ' HD2' ' HD2' ' A' ' 72' ' ' ARG . 2.5 m-85 -83.16 -174.85 5.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.71 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.2 t 54.58 25.49 6.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.35 -28.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -116.0 162.62 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.501 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -84.91 139.81 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.497 ' HB3' ' HE2' ' A' ' 34' ' ' MET . 28.5 mmm -137.95 175.25 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.688 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -163.94 150.71 11.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.139 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 14.7 m95 -105.1 107.26 18.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.617 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.037 HG12 ' HA ' ' A' ' 47' ' ' TRP . 3.6 m -101.95 164.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.999 0.428 . . . . 0.0 111.737 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.0 ttp180 -140.29 151.4 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.013 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.587 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 16.8 tt0 -133.32 113.73 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.666 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -97.59 157.72 34.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 17.9 Cg_endo -57.89 91.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 32.72 3.36 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.624 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -131.63 158.8 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.79 42.42 2.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 37' ' ' VAL . 12.4 tp 62.85 160.54 0.08 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.204 0.526 . . . . 0.0 111.461 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 48' ' ' VAL . 1.2 tt0 -153.07 130.46 11.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.894 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 1.037 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -61.1 -27.6 68.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.028 HG22 HG11 ' A' ' 64' ' ' VAL . 2.5 t 56.57 -78.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.675 ' N ' HG12 ' A' ' 48' ' ' VAL . 5.9 m -126.02 147.14 49.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.543 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -139.71 128.91 23.86 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.069 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.451 ' HB ' ' CG2' ' A' ' 70' ' ' ILE . 2.9 tt -120.88 142.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.016 0.436 . . . . 0.0 111.575 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.668 HD21 ' H ' ' A' ' 57' ' ' SER . 34.8 p-10 -96.69 148.1 33.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.721 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.49 -73.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.547 2.164 . . . . 0.0 112.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.7 -174.04 44.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.092 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 63.95 -80.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.26 . . . . 0.0 111.27 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.474 ' H ' HD21 ' A' ' 52' ' ' ASN . . . 131.02 1.94 4.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.453 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.668 ' H ' HD21 ' A' ' 52' ' ' ASN . 3.0 t -53.41 118.19 3.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.731 0.3 . . . . 0.0 110.69 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.7 149.98 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.575 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 50' ' ' THR . 4.5 m-85 -140.12 124.89 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.575 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 57.6 m-85 -125.23 164.89 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 13.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 76.0 -48.3 0.58 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.36 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -80.65 13.7 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.803 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.028 HG11 HG22 ' A' ' 48' ' ' VAL . 12.5 m -139.08 14.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -76.9 -64.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.189 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.81 33.66 2.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' HA ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -145.2 -55.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.704 0.288 . . . . 0.0 111.384 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 82' ' ' GLN . 20.7 m-30 -106.47 124.98 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 111.97 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.745 ' HB ' ' HB3' ' A' ' 82' ' ' GLN . 6.2 m -104.98 134.25 48.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.115 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.5 OUTLIER -103.5 127.38 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.261 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 p -158.2 133.59 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.7 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HD2' ' HD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -118.53 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.999 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -104.57 128.92 52.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 141.84 43.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.92 29.96 19.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.0 tmtt? -138.76 -155.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.934 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.535 ' OD1' ' HA ' ' A' ' 28' ' ' THR . 2.9 m120 -149.43 72.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.73 149.45 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.877 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 96' ' ' CYS . 23.8 tp -125.24 125.61 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.583 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -113.07 154.45 26.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.209 0.528 . . . . 0.0 112.099 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 82' ' ' GLN . 2.2 tm? -135.47 141.59 45.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.663 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.754 ' N ' HD13 ' A' ' 81' ' ' LEU . 14.8 tp60 -108.43 104.35 13.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.441 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.519 ' SD ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -89.32 84.95 6.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.108 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -115.65 169.12 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.545 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.74 26.07 9.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.947 0.403 . . . . 0.0 110.455 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.22 148.43 14.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.161 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.582 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -159.61 61.6 0.38 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 63.9 1.99 1.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' HB3' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -98.38 -23.93 15.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.441 . . . . 0.0 110.317 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CG ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 -80.53 -21.31 41.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.827 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 114' ' ' THR . 27.1 m -59.21 90.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.378 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.49 179.03 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 18.5 t -88.45 145.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.227 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 20.5 m-85 -125.5 128.95 48.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 111.506 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 37' ' ' VAL . 1.5 m-85 -121.19 135.86 55.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.87 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.836 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.67 141.06 37.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.419 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.704 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -161.67 167.23 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 3.9 tttt -83.15 139.23 33.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.805 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 144.93 29.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.221 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.87 -31.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.89 -94.64 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.84 -14.21 1.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.0 128.41 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.624 0.249 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.728 HD23 HG13 ' A' ' 37' ' ' VAL . 11.8 tp -74.6 149.07 40.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.073 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.5 OUTLIER -89.63 -35.43 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.871 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.29 89.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.073 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.581 ' HB2' HD12 ' A' ' 4' ' ' LEU . 1.1 m0 -98.76 -16.9 18.76 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.171 0.51 . . . . 0.0 110.534 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.522 ' CA ' ' HB2' ' A' ' 4' ' ' LEU . . . -52.85 170.97 0.56 Allowed Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.997 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.523 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -72.86 -36.5 67.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 111.395 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.16 109.61 3.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.602 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 4.2 t -90.41 130.32 36.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -89.78 105.25 17.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 18' ' ' LEU . 96.2 t -107.84 138.44 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 91' ' ' THR . 8.1 m -137.59 151.88 48.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.244 0.545 . . . . 0.0 112.224 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 t -126.25 109.65 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.366 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.5 t -120.34 -104.14 0.4 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 p -173.34 58.8 0.02 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.746 0.307 . . . . 0.0 110.719 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 64.41 158.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.059 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.1 p -148.07 -29.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 61.24 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.59 57.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -122.41 117.08 25.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.57 75.94 0.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.222 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 8.8 tt -175.13 148.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.05 -71.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -177.08 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.699 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.15 -162.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.26 113.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.482 ' HB3' ' H ' ' A' ' 130' ' ' ASN . 0.3 OUTLIER 59.58 -147.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.485 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.482 ' H ' ' HB3' ' A' ' 129' ' ' LEU . 7.5 t-20 61.72 14.11 5.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.75 125.09 0.02 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.302 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -56.69 17.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.39 137.8 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -90.32 -48.42 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.742 0.306 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -93.12 138.09 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.832 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.22 141.02 52.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.133 179.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.9 HD22 ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -114.61 177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.295 -178.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -142.57 121.07 12.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.692 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -101.68 133.22 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -132.59 161.62 33.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.181 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.27 -119.1 3.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.036 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.06 100.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.694 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' H ' HD11 ' A' ' 18' ' ' LEU . . . -117.67 -175.51 17.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.88 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.52 107.7 13.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.48 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG21 ' HG ' ' A' ' 86' ' ' LEU . 2.9 m -123.13 164.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.222 0.534 . . . . 0.0 111.675 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 156.41 38.07 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.925 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.91 90.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.266 1.977 . . . . 0.0 112.256 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.68 -8.27 3.94 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.04 -131.18 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.582 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -175.03 149.58 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -136.81 149.62 47.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' HE ' HE22 ' A' ' 82' ' ' GLN . 17.6 ttm180 -128.63 104.73 7.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -105.82 161.81 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -140.02 165.36 27.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.34 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 37.2 t -154.77 105.22 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -84.62 107.32 16.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.9 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.88 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.3 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 t -122.53 121.73 37.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.99 -48.47 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.606 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' HZ ' ' SD ' ' A' ' 34' ' ' MET . 44.9 p90 -132.52 -171.39 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -118.9 142.16 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.393 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' HE2' HD13 ' A' ' 79' ' ' LEU . 5.4 m-85 -76.01 -169.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.293 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t 57.58 18.44 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' A' ' 53' ' ' PRO . 40.2 t -151.54 -22.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.665 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -107.51 -179.06 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -117.86 103.51 10.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.633 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 27' ' ' PHE . 24.7 mmm -108.51 179.7 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.789 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 49' ' ' SER . . . -163.55 159.57 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.762 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD1' ' HB2' ' A' ' 81' ' ' LEU . 18.0 m95 -104.46 139.93 38.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.537 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 47' ' ' TRP . 4.4 m -127.25 165.44 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.215 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.751 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 15.0 ttp180 -143.27 149.26 37.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.18 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.81 ' HB2' HD13 ' A' ' 45' ' ' LEU . 11.0 tt0 -146.77 119.93 8.87 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . . . 165.57 -54.25 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.674 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.176 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 92' ' ' ALA . 24.6 Cg_exo -63.18 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.007 1.805 . . . . 0.0 110.328 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.61 -5.13 75.34 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.23 -168.27 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-N 114.473 -0.864 . . . . 0.0 111.884 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.67 17.81 43.03 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.271 -0.966 . . . . 0.0 110.77 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 68.15 160.06 0.17 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.969 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -160.49 126.12 3.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.451 -179.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.704 ' HA ' HG12 ' A' ' 37' ' ' VAL . 11.6 t90 -74.0 110.48 8.32 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.99 HG12 HG11 ' A' ' 64' ' ' VAL . 1.1 m -84.61 -58.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.4 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -130.83 155.87 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -139.08 133.63 31.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.834 178.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.757 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.8 tt -120.52 149.25 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.648 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.56 158.49 32.07 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HB2' ' H ' ' A' ' 54' ' ' GLY . 67.1 Cg_exo -51.09 -83.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.822 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' H ' ' HB2' ' A' ' 53' ' ' PRO . . . -113.79 -0.93 24.35 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.92 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -56.41 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.02 -24.31 25.33 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.92 146.66 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.85 145.99 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.461 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -131.42 140.52 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 13.2 m-85 -126.36 169.52 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 47' ' ' TRP . . . -74.5 12.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.317 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 74.7 -31.36 0.21 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.429 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 61' ' ' ALA . 46.2 m -96.57 9.82 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.554 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.99 HG11 HG12 ' A' ' 48' ' ' VAL . 2.7 m -139.02 -3.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.277 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 5.8 tptp -59.5 123.03 15.51 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.58 -24.54 7.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.141 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 13.6 tpp180 -67.99 -55.53 12.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.128 0.49 . . . . 0.0 110.447 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 21.7 m-30 -113.74 165.17 12.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.953 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.6 m -125.38 120.98 32.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.379 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.757 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -102.67 118.73 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.493 0.663 . . . . 0.0 111.269 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 t -151.43 159.06 44.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.255 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.64 169.0 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.994 0.426 . . . . 0.0 111.127 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.83 144.06 26.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 10.6 36.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.75 2.59 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.82 157.86 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -83.63 74.51 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -138.45 152.81 48.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.614 -179.535 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 72' ' ' ARG . 19.4 tp -124.33 124.62 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.093 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -114.86 161.79 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.354 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -156.66 135.96 12.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.853 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.626 HE22 ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -104.37 110.9 23.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.313 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.623 ' HB3' HD11 ' A' ' 86' ' ' LEU . 2.0 mtt -84.01 101.81 12.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -101.34 166.62 10.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 t 70.47 -71.77 0.12 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.051 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.636 ' HG ' HG21 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 61.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.28 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' HG3' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -172.08 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.987 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.493 ' H ' ' HG3' ' A' ' 87' ' ' LYS . 20.6 m -151.07 -44.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.545 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 9.1 pt-20 -58.99 -30.52 68.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.221 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 115' ' ' VAL . 32.5 t70 -62.94 -28.84 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.633 HG23 ' HA ' ' A' ' 114' ' ' THR . 4.8 m -67.61 89.73 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.803 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . . . -172.36 170.73 4.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.236 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 111' ' ' THR . 5.4 t -87.7 125.61 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.877 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 111' ' ' THR . 10.4 m-85 -104.6 150.0 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.119 0.485 . . . . 0.0 111.374 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HD1' HD11 ' A' ' 45' ' ' LEU . 1.1 m-85 -142.46 161.94 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.489 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 14.0 p -113.54 141.93 46.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.963 ' HB3' HD21 ' A' ' 104' ' ' LEU . . . -153.45 165.72 34.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.238 0.542 . . . . 0.0 112.347 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -91.58 152.39 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.858 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.55 115.31 22.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.422 . . . . 0.0 111.115 -179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -59.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.56 -81.22 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.58 10.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -130.21 -9.59 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 111.062 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 97' ' ' ALA . 3.0 tp 61.52 171.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -115.5 -33.62 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.97 117.59 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.217 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -129.65 -134.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.822 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 74.41 177.36 37.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.984 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.692 ' H ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.57 -51.67 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 111.05 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 126.21 99.33 1.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.742 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 94' ' ' TYR . 9.0 t -97.51 120.77 38.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.942 0.401 . . . . 0.0 110.695 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.41 116.21 22.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.557 HG13 HD13 ' A' ' 18' ' ' LEU . 87.9 t -108.62 118.21 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.09 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.633 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -116.97 148.67 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.275 0.56 . . . . 0.0 112.178 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 96.0 t -128.36 133.28 67.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.724 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 t -152.86 133.3 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -96.06 27.3 3.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 60.62 -179.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -96.96 100.67 12.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.95 175.3 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.752 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 121' ' ' GLN . 3.8 tt0 -137.49 144.84 42.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -52.22 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.5 159.2 22.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 tt -82.94 137.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 127' ' ' GLU . 1.8 t -164.5 142.06 6.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 55.89 27.14 10.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 125' ' ' SER . 93.4 mt-10 -127.73 10.34 6.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -148.75 87.5 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -131.42 -87.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.499 HD21 ' HB2' ' A' ' 134' ' ' HIS . 19.3 t-20 -159.04 134.19 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 15.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.735 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 -78.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.8 -7.83 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.499 ' HB2' HD21 ' A' ' 130' ' ' ASN . 39.2 t-80 61.89 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.712 0.291 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.795 HG12 ' HA3' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -120.87 128.52 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.307 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.87 128.88 47.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.691 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -113.25 -176.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.373 -179.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.659 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 32.2 tt0 -147.32 111.89 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.831 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HB2' ' SG ' ' A' ' 96' ' ' CYS . . . -94.32 116.65 29.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.496 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -142.57 146.62 34.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.23 -5.74 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.51 138.39 49.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.393 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.839 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -134.17 -174.14 13.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.477 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.33 109.69 20.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.535 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 86' ' ' LEU . 2.3 m -121.75 -176.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 111.6 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -103.54 167.15 10.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.949 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.94 30.9 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.609 2.206 . . . . 0.0 112.72 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -173.14 31.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.364 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.29 -134.02 6.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 t -157.11 146.96 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.668 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 10' ' ' GLY . 8.0 tp -142.55 149.49 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -129.74 108.08 9.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 81' ' ' LEU . 22.2 m -104.81 147.59 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.293 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 p -128.8 166.32 19.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 78' ' ' THR . 3.6 t -147.65 104.87 3.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.23 100.35 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 0.0 110.879 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -85.66 175.84 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.327 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.5 103.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.795 ' HA3' HG12 ' A' ' 2' ' ' VAL . . . 163.49 -37.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.404 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.42 -175.31 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.65 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -85.13 -106.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -173.81 -62.35 0.02 OUTLIER 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.75 0.309 . . . . 0.0 111.261 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.2 t -62.78 -10.29 12.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.05 -17.79 18.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.72 169.79 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 28.6 m80 -111.0 95.78 5.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.486 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.498 ' HE1' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -87.52 166.45 14.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 111.907 -178.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.684 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -160.02 155.55 25.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.7 ' HE1' HD22 ' A' ' 79' ' ' LEU . 23.0 m95 -104.98 148.19 26.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.828 ' CG2' HD23 ' A' ' 104' ' ' LEU . 1.1 t -123.3 165.41 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.574 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 25.7 ttp180 -157.49 137.69 12.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.841 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.2 tt0 -126.76 114.45 17.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -76.77 163.82 63.25 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.292 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 7.1 Cg_endo -49.37 -18.05 2.0 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.7 2.267 . . . . 0.0 112.419 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.62 70.37 0.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.583 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.41 167.01 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.325 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.19 51.23 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.267 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 66.42 149.44 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.217 0.532 . . . . 0.0 111.323 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.83 134.42 14.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.492 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.684 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 1.1 t90 -71.87 111.76 7.39 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG12 HG11 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -79.64 -56.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.522 ' C ' ' HE1' ' A' ' 47' ' ' TRP . 0.7 OUTLIER -131.59 154.49 48.81 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -177.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.434 ' OG1' ' NE1' ' A' ' 47' ' ' TRP . 1.1 m -138.81 141.65 38.72 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.352 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.416 ' HB ' HG23 ' A' ' 70' ' ' ILE . 0.8 OUTLIER -117.64 140.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.027 0.442 . . . . 0.0 111.651 -179.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -109.98 128.85 24.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.07 153.56 28.69 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.575 2.183 . . . . 0.0 112.636 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.74 -92.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.726 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.1 -44.23 83.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.76 40.6 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.124 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.86 158.61 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.18 142.1 30.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.967 0.413 . . . . 0.0 111.52 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -127.12 136.72 52.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.69 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 12.3 m-85 -127.03 172.42 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.036 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 62' ' ' ASP . . . -75.52 16.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.97 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 1.1 m-20 76.53 -51.11 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.634 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -83.83 14.48 3.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.652 0.263 . . . . 0.0 111.192 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.712 HG11 HG12 ' A' ' 48' ' ' VAL . 2.0 m -139.99 0.85 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.615 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -53.07 -52.4 58.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.84 0.353 . . . . 0.0 110.613 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.49 27.4 20.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.759 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.74 HH21 ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -111.39 -57.0 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 111.075 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 97.3 m-85 -116.55 165.31 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.546 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 m -126.77 125.86 42.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.288 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 49' ' ' SER . 1.6 tt -103.2 131.26 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.552 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.19 166.11 34.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.784 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 29.2 ptt180 -160.99 155.97 24.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -100.37 127.97 46.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -59.98 151.37 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.07 19.01 5.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -138.28 118.46 13.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.44 HD22 ' HA ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -78.3 70.21 4.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 1.5 m -156.09 118.56 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 112.089 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 36' ' ' TRP . 1.4 mt -85.82 143.6 28.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.719 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.419 ' HE1' ' HB ' ' A' ' 78' ' ' THR . 62.4 m-85 -133.18 130.53 39.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 69' ' ' THR . 7.4 tt -127.11 136.78 52.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.606 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.554 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 36.6 tp60 -103.75 104.9 14.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.507 ' SD ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.73 -179.134 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 161.61 15.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.33 43.72 31.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.717 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 12' ' ' VAL . 2.1 mp -60.88 132.32 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.732 ' HG3' ' H ' ' A' ' 89' ' ' GLU . 14.2 ptpt -132.44 -166.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.328 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 t -62.21 -16.09 50.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.068 0.461 . . . . 0.0 110.389 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.74 ' HG2' HH21 ' A' ' 67' ' ' ARG . 4.2 tp10 -82.49 -39.63 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.486 ' CG ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -52.61 -28.41 21.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 114' ' ' THR . 96.9 m -63.95 90.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.432 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -170.24 -179.49 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.275 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 38.8 t -97.44 145.85 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.212 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.423 ' HH ' ' HZ ' ' A' ' 68' ' ' PHE . 22.4 m-85 -121.69 147.82 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 111.896 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 45' ' ' LEU . 35.9 m-85 -134.72 167.41 20.89 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.731 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 6' ' ' ALA . 4.8 p -137.29 141.52 41.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.499 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.846 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -165.25 165.93 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.141 0.496 . . . . 0.0 111.913 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.539 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -85.68 151.24 24.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.983 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.539 ' N ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -84.37 113.26 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 111.222 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.17 10.97 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.42 -61.29 0.57 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.238 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.68 118.89 2.87 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.369 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.62 159.63 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.846 ' HG ' ' HB3' ' A' ' 97' ' ' ALA . 9.9 tp -98.85 156.52 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.038 0.447 . . . . 0.0 111.461 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.652 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 2.2 t0 -97.9 -30.76 12.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.082 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 64.34 108.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.899 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.652 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 1.3 m0 -125.74 -10.4 6.71 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.115 0.483 . . . . 0.0 111.005 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' HA3' ' SG ' ' A' ' 96' ' ' CYS . . . -77.26 148.39 34.26 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.174 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.659 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 5.6 mm-40 -51.88 131.96 31.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.291 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.03 98.54 0.72 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.581 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 94' ' ' TYR . 6.1 t -71.8 137.71 47.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -90.65 103.01 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.839 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.503 HG11 ' HE1' ' A' ' 83' ' ' MET . 96.3 t -107.11 129.17 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.895 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.824 HG23 HG23 ' A' ' 91' ' ' THR . 1.4 m -133.71 162.3 32.33 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 t -131.44 108.73 15.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.814 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.7 t -128.75 149.92 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.43 113.66 15.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.6 14.29 17.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.87 141.58 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -70.1 -23.17 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -69.69 102.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.055 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -104.11 -72.3 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.694 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 57.11 91.42 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -124.81 137.95 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.044 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.428 ' N ' HG13 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -140.76 70.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -147.45 3.4 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.74 97.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.05 89.73 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.036 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.1 mt 63.06 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.293 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.06 68.86 0.71 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.13 91.99 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -93.69 -49.66 5.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.67 179.59 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -90.57 -169.54 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.798 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.8 m80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.951 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.757 0.313 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.72 151.08 25.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.172 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.45 141.15 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.618 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -124.27 -174.59 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.745 ' HA ' ' H ' ' A' ' 109' ' ' GLN . 0.7 OUTLIER -152.71 140.72 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 109' ' ' GLN . . . -125.37 164.64 19.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 111.741 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 23.2 t -176.75 169.13 2.53 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.86 13.81 7.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.716 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 144.25 45.7 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.65 176.08 26.67 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' HB ' ' A' ' 114' ' ' THR . 0.4 OUTLIER -108.9 106.57 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -111.65 -178.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.59 41.31 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.17 82.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.493 2.129 . . . . 0.0 112.177 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.54 -21.61 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.161 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.52 -136.61 0.17 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.265 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -174.75 136.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -120.66 145.34 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.067 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' HE22 ' A' ' 82' ' ' GLN . 5.6 ttm-85 -122.81 107.54 12.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.541 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.632 HG21 HG21 ' A' ' 111' ' ' THR . 0.4 OUTLIER -103.69 168.45 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.0 111.439 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.502 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.3 p -144.92 165.35 28.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.741 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 35.5 t -144.72 113.31 6.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.382 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 104.82 17.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.096 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -87.51 170.09 11.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.287 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -151.03 125.39 9.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.703 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.34 -66.55 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.169 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -110.53 178.4 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.627 0.251 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -72.57 -119.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.958 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' HE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -169.7 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.817 ' HA ' HH12 ' A' ' 72' ' ' ARG . 2.8 t -68.98 -18.33 64.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t -82.34 -27.69 32.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.549 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -112.75 -168.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.645 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -109.16 151.45 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.141 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.489 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 1.4 mmt -143.94 163.68 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 111.219 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 104' ' ' LEU . . . -162.92 154.97 18.29 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.553 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.676 ' NE1' ' HB3' ' A' ' 79' ' ' LEU . 32.8 m95 -111.66 115.18 28.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.476 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.051 HG12 ' HA ' ' A' ' 47' ' ' TRP . 15.5 m -102.34 163.47 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 8.9 ttp180 -138.64 148.07 43.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.409 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.518 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 24.4 tt0 -138.21 105.27 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.015 ' HB3' ' HG3' ' A' ' 43' ' ' LYS . . . -76.19 153.44 84.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.21 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.607 2.205 . . . . 0.0 112.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 68.54 1.25 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.568 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.015 ' HG3' ' HB3' ' A' ' 40' ' ' ALA . 14.1 mmtt -142.86 -99.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.69 22.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.479 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 46' ' ' GLU . 2.8 tt 64.19 162.92 0.12 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.062 0.458 . . . . 0.0 111.243 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -160.26 126.17 4.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.22 179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 1.051 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.2 -24.01 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.606 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.813 HG22 HG11 ' A' ' 64' ' ' VAL . 2.6 t 55.99 -76.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 48' ' ' VAL . 60.5 p -134.08 149.03 51.1 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.596 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -134.99 145.12 47.81 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.938 179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.705 ' HB ' HD13 ' A' ' 70' ' ' ILE . 3.7 tt -123.92 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 0.0 111.315 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -84.65 144.93 43.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HA ' HH22 ' A' ' 72' ' ' ARG . 10.0 Cg_endo -51.61 121.74 9.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.686 2.257 . . . . 0.0 112.566 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' H ' HH22 ' A' ' 72' ' ' ARG . . . 94.42 20.25 30.28 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.55 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 t70 53.97 64.28 1.89 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.01 -110.24 3.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.592 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -79.92 156.31 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.663 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.31 143.2 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.316 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HD2' HG22 ' A' ' 50' ' ' THR . 2.2 m-85 -132.23 128.19 37.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.549 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.671 ' HD2' HG23 ' A' ' 64' ' ' VAL . 13.2 m-85 -118.91 165.97 13.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.762 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -78.81 14.01 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.496 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 73.04 -27.93 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -89.72 -10.22 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.778 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.813 HG11 HG22 ' A' ' 48' ' ' VAL . 35.5 m -124.59 13.01 4.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 13.1 tptt -84.55 121.92 28.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.5 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.35 -11.1 65.36 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.853 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.511 ' H ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -108.23 -49.32 3.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.96 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 16.2 m-30 -104.89 152.31 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.109 0.48 . . . . 0.0 111.59 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 87.4 m -123.75 119.15 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.491 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.705 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.99 120.3 52.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.52 166.41 33.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.341 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.817 HH12 ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -159.16 -178.68 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 111.429 -179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.72 179.43 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -125.29 14.74 8.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.44 51.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -8.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.319 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.99 73.37 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -161.87 157.29 23.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 111.895 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.676 ' HB3' ' NE1' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -125.79 123.64 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.757 179.131 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 78' ' ' THR . 71.1 m-85 -118.44 125.83 50.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.611 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -125.54 138.24 53.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.549 HE22 ' HB2' ' A' ' 19' ' ' ARG . 18.4 tp60 -104.47 106.61 17.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.276 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 9.2 mtt -82.96 87.36 6.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -105.03 170.3 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.024 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.97 53.32 12.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' CB ' ' A' ' 90' ' ' ASP . 1.6 mp -72.09 168.91 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' HE2' ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -162.32 -49.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.621 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.85 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' HG2' ' HE2' ' A' ' 87' ' ' LYS . 8.4 pt-20 -60.03 -17.61 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.202 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -74.25 -32.79 63.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 179.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.642 HG23 ' HA ' ' A' ' 114' ' ' THR . 3.1 m -63.79 92.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.853 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -172.39 -166.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.032 0.444 . . . . 0.0 111.489 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.32 126.96 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.746 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 38' ' ' ARG . 22.3 m-85 -109.19 137.87 46.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HD1' HG23 ' A' ' 37' ' ' VAL . 1.3 m-85 -124.24 165.37 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.492 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -130.02 143.01 50.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -163.08 165.54 24.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.259 0.552 . . . . 0.0 112.208 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -87.33 141.13 28.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.86 171.43 13.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.21 -47.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -127.41 -83.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.54 -6.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.697 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.02 157.82 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 8.9 tp -98.45 154.54 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.714 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.9 OUTLIER -98.3 -35.58 10.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.233 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 67.17 111.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.901 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.714 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -132.07 -0.01 3.78 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . -95.61 148.54 19.02 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.818 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.745 ' H ' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -53.66 133.94 41.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.79 113.98 4.07 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.274 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.632 HG21 HG21 ' A' ' 20' ' ' VAL . 6.3 t -71.19 129.88 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.98 97.29 9.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.2 t -104.7 124.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.861 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.642 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.1 OUTLIER -124.38 160.69 27.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.749 -179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.56 101.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.9 p -123.0 165.66 16.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.641 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 30.8 p -89.13 -11.39 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.086 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 117' ' ' SER . 0.1 OUTLIER 38.58 -152.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.101 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.25 31.64 1.54 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.004 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' H ' ' HG3' ' A' ' 118' ' ' GLN . 4.9 mm-40 -79.8 175.04 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.63 -30.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.61 161.57 17.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.06 70.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.261 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 126' ' ' GLU . 43.9 mt 52.43 -95.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 p 57.53 15.78 2.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.311 . . . . 0.0 111.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.571 ' H ' HG22 ' A' ' 124' ' ' ILE . 0.8 OUTLIER -160.52 19.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 124' ' ' ILE . 84.8 mt-10 56.25 28.22 12.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.33 -178.93 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 mt -110.5 113.72 26.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -106.48 147.35 29.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.11 -166.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.818 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -134.52 155.34 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -105.06 -64.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 -179.4 6.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.66 0.267 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 27' ' ' PHE . 33.1 m -86.67 133.06 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.241 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.48 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -123.99 144.35 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -129.76 177.17 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.3 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.635 ' HB3' HE21 ' A' ' 109' ' ' GLN . 0.0 OUTLIER -145.12 121.7 11.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.526 ' H ' ' H ' ' A' ' 109' ' ' GLN . . . -100.04 145.77 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.466 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.663 ' HA ' ' HB ' ' A' ' 111' ' ' THR . 12.3 t -169.1 179.27 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.635 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.12 -19.08 41.34 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.646 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.23 162.36 1.35 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.655 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' N ' HD11 ' A' ' 18' ' ' LEU . . . -169.95 -173.77 37.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.859 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.617 ' HA ' ' O ' ' A' ' 114' ' ' THR . 15.4 mt -97.66 127.39 43.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 110.703 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 86' ' ' LEU . 1.9 m -112.42 -174.69 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.599 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' HE21 ' A' ' 118' ' ' GLN . 0.0 OUTLIER -107.73 123.26 38.43 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.208 178.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.14 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.25 2.633 . . . . 0.0 113.231 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.75 15.15 9.59 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.359 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.61 -133.45 7.88 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.73 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -159.18 158.36 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -153.37 124.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.371 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' HB2' ' NE2' ' A' ' 82' ' ' GLN . 2.3 ttt-85 -104.78 121.51 43.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 83' ' ' MET . 3.2 m -116.4 162.29 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 79' ' ' LEU . 58.0 p -138.27 161.0 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.372 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 78' ' ' THR . 50.0 t -133.61 113.79 12.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.245 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.29 91.63 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 4' ' ' LEU . . . -93.23 175.51 6.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.733 ' HA ' HD22 ' A' ' 77' ' ' ASN . 0.5 OUTLIER 179.52 114.94 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.647 0.261 . . . . 0.0 111.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.88 0.42 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.755 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.671 ' HB3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -154.64 -24.55 0.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.522 0.661 . . . . 0.0 112.393 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.497 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 5.0 m 61.8 161.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 111.56 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 31' ' ' SER . 1.3 m-85 -105.25 -160.05 0.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.808 ' HA ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER 66.62 -7.24 0.46 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.021 -179.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 29' ' ' PHE . 38.2 m -134.04 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.785 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.57 171.16 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.259 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.87 132.67 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.313 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.504 ' HE1' HD13 ' A' ' 4' ' ' LEU . 1.1 mmt -126.91 168.81 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -163.57 149.4 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.085 0.469 . . . . 0.0 112.139 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.601 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 20.6 m95 -104.18 109.29 21.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' ' 47' ' ' TRP . 2.3 m -103.01 165.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 5.2 ttp180 -143.36 148.13 35.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.417 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 27.3 tt0 -136.03 113.33 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.51 150.35 76.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.59 98.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.594 2.196 . . . . 0.0 112.382 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.03 48.38 3.61 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.321 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.5 -162.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.126 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.61 23.64 6.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD21 ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt 64.05 166.44 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.144 0.497 . . . . 0.0 111.554 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.685 ' HG3' ' H ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -155.71 126.16 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.061 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.06 -26.6 16.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.799 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 23.6 t 58.52 -77.98 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 48' ' ' VAL . 82.8 p -133.14 148.7 52.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.627 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 1.1 m -133.97 145.56 49.64 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.119 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.58 HG21 ' HD3' ' A' ' 72' ' ' ARG . 4.0 tt -121.72 141.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.405 ' CG ' ' HD2' ' A' ' 53' ' ' PRO . 9.2 t-20 -88.49 143.73 32.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.226 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.59 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 76.4 Cg_exo -47.11 135.96 18.43 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.808 ' H ' ' HA ' ' A' ' 30' ' ' SER . . . 91.77 3.46 68.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.66 83.86 0.1 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.11 -90.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.4 140.83 49.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.714 0.292 . . . . 0.0 110.679 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.39 141.08 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 111.785 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.47 133.55 40.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.24 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.713 ' HB3' HG23 ' A' ' 64' ' ' VAL . 12.6 m-85 -120.27 167.04 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 63' ' ' SER . . . -72.62 12.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' TYR . 22.5 m-20 73.35 -24.57 0.2 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.537 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -98.89 -3.54 35.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' HB3' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -118.35 -1.67 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.275 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 20.8 mmmt -59.71 117.15 4.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.09 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -60.04 3.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.6 m-30 -116.66 165.08 13.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 21.4 m -127.2 120.73 29.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.351 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.575 HG12 ' HB ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -101.81 119.7 50.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.386 0.612 . . . . 0.0 111.174 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -151.08 165.69 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.026 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -160.71 177.73 10.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.919 0.39 . . . . 0.0 111.189 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.4 -32.24 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.36 -32.4 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -105.76 163.99 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.733 HD22 ' HA ' ' A' ' 25' ' ' SER . 5.4 m-20 -104.28 66.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -140.95 143.98 34.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 112.028 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 72' ' ' ARG . 11.7 tp -107.33 142.14 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' ' HE1' ' A' ' 36' ' ' TRP . 34.8 m-85 -128.03 154.51 45.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.166 0.507 . . . . 0.0 112.004 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 69' ' ' THR . 3.2 tp -153.1 133.86 13.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.718 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.547 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 37.5 tp60 -104.42 106.04 16.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.242 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.493 ' HE1' HG11 ' A' ' 20' ' ' VAL . 1.4 mtt -85.01 93.25 8.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.83 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 17' ' ' SER . 3.3 m-20 -103.55 84.33 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.501 ' H ' HD22 ' A' ' 86' ' ' LEU . 3.5 p -176.39 -93.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' SER . 0.4 OUTLIER 53.07 94.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.186 0.517 . . . . 0.0 110.542 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.12 43.84 2.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.245 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 57.44 17.19 3.66 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.205 0.526 . . . . 0.0 110.212 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -121.52 -34.09 3.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.766 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -59.47 -98.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.436 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 114' ' ' THR . 3.8 m 44.07 91.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.44 172.53 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.345 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 111' ' ' THR . 24.4 t -85.76 144.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.175 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.634 ' O ' HG22 ' A' ' 111' ' ' THR . 26.9 m-85 -124.37 138.82 54.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.11 0.481 . . . . 0.0 111.464 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HD1' HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -135.97 165.24 26.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.162 179.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.671 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -121.01 137.24 54.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 106' ' ' ALA . . . -145.92 160.98 41.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.158 0.504 . . . . 0.0 112.235 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.73 128.33 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.466 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -83.97 149.21 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.35 -59.2 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.12 -33.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.68 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -172.85 11.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.584 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.13 108.45 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 37' ' ' VAL . 7.5 tp -69.34 165.09 21.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.59 ' HB3' ' NE1' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -108.41 -27.53 9.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.74 -179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 61.27 109.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.948 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.59 ' NE1' ' HB3' ' A' ' 105' ' ' ASP . 4.8 m0 -128.7 -128.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 70.12 176.26 18.11 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.635 HE21 ' HB3' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -85.84 -36.8 19.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' CD2' ' A' ' 95' ' ' TYR . . . 107.75 96.43 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.65 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' A' ' 7' ' ' SER . 9.4 t -94.05 135.33 35.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.08 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -84.81 106.03 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.31 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.03 113.62 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.75 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.653 HG23 HG23 ' A' ' 91' ' ' THR . 23.0 m -133.09 148.07 52.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.893 0.378 . . . . 0.0 111.423 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -107.67 103.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.34 109.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.03 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 1.4 t -165.47 109.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.47 HE21 ' HB3' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 56.0 177.96 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.355 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -122.92 -49.35 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.04 172.17 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -146.99 -15.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -97.31 158.99 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.56 166.66 11.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 124' ' ' ILE . 2.8 mp -53.92 105.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.426 ' H ' ' H ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -170.39 7.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.426 ' H ' ' H ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -143.38 -68.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -63.02 -50.7 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.419 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.4 OUTLIER -95.34 51.87 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.7 tp -147.5 -32.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.39 111.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -110.04 41.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -162.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 -38.51 57.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.92 123.42 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.942 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.775 0.321 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.607 HG22 ' CZ3' ' A' ' 107' ' ' TRP . 4.9 m -130.41 27.05 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.369 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.8 160.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' ' 24' ' ' ALA . 42.4 mt -151.77 155.01 37.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.189 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -152.11 93.52 1.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' HG2' ' A' ' 109' ' ' GLN . . . -101.68 141.25 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.465 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -145.3 146.0 31.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.2 -0.97 2.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.641 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.81 94.13 0.04 OUTLIER Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.917 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.08 -174.35 22.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.651 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 116' ' ' SER . 1.1 mm? -108.92 120.64 43.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.48 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 86' ' ' LEU . 19.2 m -127.01 -178.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.292 0.568 . . . . 0.0 111.542 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.533 ' HG2' ' N ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -130.88 148.95 72.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.453 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 97.4 Cg_exo -45.76 94.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.482 2.121 . . . . 0.0 112.473 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.44 12.12 5.79 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.607 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.45 -143.04 10.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 p -164.54 112.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB2' HG11 ' A' ' 12' ' ' VAL . 31.7 tp -112.94 148.37 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 19' ' ' ARG . 19.0 ttm180 -128.4 106.85 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 81' ' ' LEU . 11.0 m -103.91 147.31 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 p -124.78 165.62 17.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.019 0.437 . . . . 0.0 111.761 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -145.31 128.62 16.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.502 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.9 132.52 54.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.048 0.451 . . . . 0.0 111.5 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.82 ' HB2' HD23 ' A' ' 4' ' ' LEU . . . -136.18 175.34 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 m -162.81 125.04 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.29 -2.37 1.54 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.163 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -158.27 -13.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.863 0.331 . . . . 0.0 111.47 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m 65.65 144.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 111.58 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 77' ' ' ASN . 3.2 m-85 -88.82 -176.31 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.716 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m 59.59 5.68 0.7 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.627 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -126.74 -22.87 3.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.074 0.464 . . . . 0.0 110.235 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -117.23 -178.25 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.425 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -93.09 139.65 30.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 98' ' ' LYS . 92.1 mmm -138.4 159.53 41.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 47' ' ' TRP . . . -165.12 156.06 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.287 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' HE1' ' HB3' ' A' ' 79' ' ' LEU . 29.2 m95 -106.5 143.0 35.25 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.642 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.836 HG12 ' HA ' ' A' ' 47' ' ' TRP . 19.3 m -126.78 165.78 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.923 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.501 ' HB2' ' CE2' ' A' ' 94' ' ' TYR . 16.6 ttp180 -143.38 151.34 40.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.156 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -133.8 104.27 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.863 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.39 150.19 79.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.72 110.64 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 0.0 112.547 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.42 48.84 2.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.371 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.53 -173.24 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.754 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.666 ' O ' ' HB2' ' A' ' 45' ' ' LEU . . . -111.04 -41.46 1.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.119 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.666 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 6.1 tp 161.98 165.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.347 0.659 . . . . 0.0 110.486 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.27 130.82 7.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.467 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.836 ' HA ' HG12 ' A' ' 37' ' ' VAL . 3.3 t90 -81.01 110.18 16.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.954 HG12 HG11 ' A' ' 64' ' ' VAL . 2.0 m -79.45 -60.69 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.013 0.435 . . . . 0.0 111.716 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.638 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -129.97 152.48 49.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -129.56 151.47 50.14 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.06 179.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.779 ' HB ' HD13 ' A' ' 70' ' ' ILE . 1.6 tt -132.41 138.53 52.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.65 111.21 25.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.87 171.06 14.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.561 2.174 . . . . 0.0 112.248 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.46 3.81 90.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -161.48 -63.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.317 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.96 -3.99 9.81 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.275 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 m -58.07 133.53 55.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.806 0.336 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.02 136.15 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.499 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -125.45 134.34 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HB2' ' HD3' ' A' ' 65' ' ' LYS . 4.8 m-85 -116.69 174.29 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 64' ' ' VAL . . . -77.36 11.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.949 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 76.29 -42.54 0.44 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 16.9 7.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.954 HG11 HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -139.34 -5.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.35 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.653 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -66.4 137.91 57.2 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.76 -0.88 48.76 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.069 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -99.09 -65.77 0.94 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.335 0.588 . . . . 0.0 110.235 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -104.73 160.42 14.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 22.8 m -121.8 114.07 20.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.779 HD13 ' HB ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -102.35 121.26 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.689 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.2 t -158.58 158.0 33.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.667 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.67 174.42 10.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.89 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.98 156.41 18.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 58.21 29.01 17.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -86.76 82.1 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -151.74 142.09 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.186 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB3' ' HE1' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -121.27 136.23 55.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.421 179.034 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -126.44 140.79 52.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.905 0.383 . . . . 0.0 111.771 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 69' ' ' THR . 6.0 tp -132.83 130.03 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.37 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.518 ' HB3' ' HB ' ' A' ' 69' ' ' THR . 34.7 tp60 -103.69 105.17 15.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.731 ' HE1' HG21 ' A' ' 113' ' ' VAL . 16.8 mtt -82.64 100.73 10.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.534 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 172.46 7.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.412 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 m 54.06 47.39 23.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.891 0.377 . . . . 0.0 110.763 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.695 HD22 ' H ' ' A' ' 86' ' ' LEU . 1.1 mm? -69.1 154.4 42.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.112 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HG2' ' H ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -153.11 -48.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.005 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.572 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -175.46 -49.55 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.991 0.424 . . . . 0.0 111.013 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.04 -20.91 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.626 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.576 ' OD2' HG21 ' A' ' 115' ' ' VAL . 0.0 OUTLIER -62.97 -32.93 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.743 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.836 HG23 ' HA ' ' A' ' 114' ' ' THR . 24.6 m -66.07 101.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.283 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . -178.62 178.9 0.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.5 t -90.49 133.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.836 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.537 ' O ' HG22 ' A' ' 111' ' ' THR . 27.6 m-85 -116.17 154.56 29.82 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.297 0.57 . . . . 0.0 112.384 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.528 ' HD1' HG23 ' A' ' 37' ' ' VAL . 3.6 m-85 -144.63 165.3 28.4 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.183 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.621 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.01 107.66 7.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.682 ' HB3' ' HG ' ' A' ' 104' ' ' LEU . . . -125.61 169.6 12.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 111.962 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.614 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 0.3 OUTLIER -82.78 139.37 33.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.237 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.554 ' HD1' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -83.69 166.08 18.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.047 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -127.18 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.97 -21.16 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.809 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 173.14 29.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.833 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.7 142.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.669 0.271 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.788 HD23 HG13 ' A' ' 37' ' ' VAL . 10.1 tp -89.97 155.31 19.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.945 0.403 . . . . 0.0 111.229 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -101.64 -33.64 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.315 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . . . 63.96 119.1 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.614 ' CH2' ' HB3' ' A' ' 98' ' ' LYS . 5.6 m0 -111.61 -85.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -103.35 -146.44 16.82 Favored Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.758 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.615 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 6.9 mt-30 76.75 -132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.239 0.616 . . . . 0.0 111.871 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.508 ' HA2' ' CE2' ' A' ' 95' ' ' TYR . . . 110.29 55.62 0.53 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 94' ' ' TYR . 8.9 t -84.17 130.47 34.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 111.345 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -93.08 108.6 20.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.731 HG21 ' HE1' ' A' ' 83' ' ' MET . 79.0 t -104.56 129.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.918 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.836 ' HA ' HG23 ' A' ' 91' ' ' THR . 26.3 m -134.55 145.14 48.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 112.208 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.576 HG21 ' OD2' ' A' ' 90' ' ' ASP . 40.1 t -115.27 112.24 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -82.81 80.86 8.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.798 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -171.95 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -129.07 -70.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.02 -90.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 58.77 -175.24 0.09 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 -72.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -114.23 118.12 33.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.52 125.91 21.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 15.5 tt -80.4 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 p -82.91 129.12 34.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.704 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 111.02 3.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -167.31 9.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.13 -74.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.85 109.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.79 -27.69 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.5 m80 57.61 -165.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.88 170.48 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.042 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.53 154.96 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -128.26 28.41 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.023 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.842 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.733 0.301 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -120.59 110.15 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.743 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 138.62 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.296 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' HE1' ' A' ' 34' ' ' MET . 0.1 OUTLIER -110.51 161.01 16.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 111.492 -179.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.723 ' HG3' HE21 ' A' ' 109' ' ' GLN . 42.3 tt0 -117.44 108.5 15.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.232 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 134.93 33.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.709 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -162.14 174.09 13.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.34 30.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG22 ' A' ' 113' ' ' VAL . . . -57.79 120.0 19.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.641 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.45 ' H ' HD21 ' A' ' 18' ' ' LEU . . . -125.8 -174.37 13.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.746 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.748 HD12 HE22 ' A' ' 118' ' ' GLN . 1.8 mm? -114.48 128.35 56.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -136.18 -173.18 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.69 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.645 ' N ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -129.31 156.93 77.63 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.543 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 73.3 Cg_exo -49.21 106.14 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.383 2.055 . . . . 0.0 112.185 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.18 6.14 27.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.13 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -148.65 7.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.625 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.92 112.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.801 0.334 . . . . 0.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 HD21 ' H ' ' A' ' 10' ' ' GLY . 14.9 tp -122.72 129.55 51.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HB2' HE22 ' A' ' 82' ' ' GLN . 2.3 ttm180 -104.61 116.71 32.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 ' HE1' ' A' ' 83' ' ' MET . 33.3 m -105.69 149.63 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -122.39 164.36 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 0.0 111.535 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -147.96 104.52 3.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.69 166.0 16.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 4' ' ' LEU . . . -166.92 158.21 12.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.56 101.3 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.161 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.99 6.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.044 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -167.88 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.896 0.348 . . . . 0.0 111.803 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 64.06 159.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.52 -164.97 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB2' ' HA ' ' A' ' 74' ' ' ASN . 20.2 t 59.61 14.17 3.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.17 -37.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -106.7 157.2 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 5.1 m-70 -92.17 95.04 9.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.609 ' HE1' HD13 ' A' ' 4' ' ' LEU . 6.1 mmm -84.21 172.11 12.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.698 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' ' HD1' ' A' ' 47' ' ' TRP . . . -150.51 153.96 36.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.626 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 12.1 m95 -104.29 108.86 20.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.319 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.622 ' CG1' ' HG ' ' A' ' 45' ' ' LEU . 1.4 t -100.7 166.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.458 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.635 ' HG2' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -149.51 152.4 35.52 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 112.144 -178.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.699 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 2.1 tt0 -138.3 128.24 25.45 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.802 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.928 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -128.36 178.75 1.5 Allowed Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.118 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.928 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 49.9 Cg_exo -30.39 -67.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.067 2.511 . . . . 0.0 113.031 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.586 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -58.38 -32.27 67.94 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.307 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.9 ptpt 54.94 -176.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.86 -7.04 6.48 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 95' ' ' TYR . 1.2 tp 62.24 134.76 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 114.407 -0.896 . . . . 0.0 112.071 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 1.6 tt0 -129.66 122.02 28.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.111 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' HD1' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -55.59 -28.16 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.157 -179.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.663 HG13 HG11 ' A' ' 64' ' ' VAL . 37.3 t 55.13 -77.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' N ' HG12 ' A' ' 48' ' ' VAL . 29.5 m -131.05 155.16 47.36 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.521 ' CB ' ' HE1' ' A' ' 47' ' ' TRP . 1.2 m -146.63 136.19 23.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.887 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.478 HG12 ' NH1' ' A' ' 72' ' ' ARG . 1.6 tt -116.47 140.46 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 111.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -117.1 116.43 37.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.802 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.47 166.22 26.41 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.57 2.18 . . . . 0.0 112.234 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.72 -77.35 1.05 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.652 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.81 -7.53 4.18 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.165 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.26 136.43 48.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.33 157.19 26.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.641 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -131.46 129.93 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.289 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 64' ' ' VAL . 23.5 m-85 -126.6 158.92 35.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.295 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.61 20.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 60' ' ' TYR . 9.3 t70 75.9 -57.07 0.58 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.545 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.05 30.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.663 HG11 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -148.44 -11.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' A' ' 60' ' ' TYR . 7.9 tptt -54.42 -32.57 57.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.499 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.95 3.71 22.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.595 ' NE ' ' HE3' ' A' ' 87' ' ' LYS . 2.2 tpp180 -96.42 -65.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.402 . . . . 0.0 110.993 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.683 ' HB3' HD21 ' A' ' 81' ' ' LEU . 67.3 m-85 -109.09 161.01 15.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.218 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 17.7 m -123.36 128.03 49.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 49' ' ' SER . 0.2 OUTLIER -101.2 136.32 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.159 0.504 . . . . 0.0 110.582 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -147.22 161.76 40.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.492 HH11 ' HB3' ' A' ' 72' ' ' ARG . 1.4 ttp-105 -166.13 142.2 4.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -87.27 142.09 28.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.563 179.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.612 ' HA ' ' HB2' ' A' ' 30' ' ' SER . 0.1 OUTLIER -88.66 46.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.682 179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.46 -69.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.319 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -79.64 146.15 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.77 84.5 4.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -155.41 156.5 35.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.074 0.464 . . . . 0.0 111.759 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 72' ' ' ARG . 19.8 tp -131.28 126.16 34.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -120.22 150.02 41.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 111.766 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -140.35 142.61 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.241 178.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.478 HE22 ' HB2' ' A' ' 19' ' ' ARG . 8.7 tp60 -103.84 107.97 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.86 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' ' HD1' ' A' ' 68' ' ' PHE . 12.0 mtt -85.3 99.95 11.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -122.38 170.04 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.49 32.95 21.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.204 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 86' ' ' LEU . 3.1 mp -61.93 127.01 29.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.64 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.613 ' HG2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -116.26 -44.87 2.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.613 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 2.1 t 177.93 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.325 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -22.94 67.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.003 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 86' ' ' LEU . 1.3 m-20 -59.99 -45.62 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.286 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 114' ' ' THR . 10.0 m -46.69 99.25 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.025 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 39' ' ' GLN . . . 179.74 174.14 0.86 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.317 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' THR . 25.0 t -92.45 140.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.455 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 111' ' ' THR . 39.9 m-85 -115.88 136.57 52.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 112.663 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.736 ' CE2' HD11 ' A' ' 45' ' ' LEU . 54.9 m-85 -115.82 168.99 9.56 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.848 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HE3' ' A' ' 34' ' ' MET . 2.9 p -142.36 141.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . . . -162.79 166.52 24.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 99' ' ' TYR . 5.1 tttt -84.79 148.08 26.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.828 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -88.04 134.28 33.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.04 136.02 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.995 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.76 -7.34 55.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.28 -3.46 64.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.62 128.69 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -66.49 149.16 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -35.83 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.804 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' H ' HD13 ' A' ' 104' ' ' LEU . . . 65.85 115.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.722 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -124.44 -130.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.025 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 4' ' ' LEU . . . 68.42 176.37 11.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.73 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.723 HE21 ' HG3' ' A' ' 5' ' ' GLN . 16.3 mt-30 -95.92 -18.55 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.595 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.13 106.36 2.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.375 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 94' ' ' TYR . 10.6 t -93.93 132.25 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.453 ' HA ' HE21 ' A' ' 112' ' ' GLN . 0.1 OUTLIER -84.76 104.07 14.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.51 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.507 HG22 ' HA2' ' A' ' 9' ' ' GLY . 76.8 t -114.15 116.77 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.43 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.732 HG23 HG23 ' A' ' 91' ' ' THR . 1.8 m -129.61 145.11 51.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.9 p -120.62 104.31 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.465 ' HB3' ' H ' ' A' ' 117' ' ' SER . 0.4 OUTLIER -119.63 -116.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.052 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.465 ' H ' ' HB3' ' A' ' 116' ' ' SER . 0.3 OUTLIER -158.23 25.33 0.25 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.748 HE22 HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -129.92 -164.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.49 -175.66 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.29 46.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.95 -63.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -98.83 142.99 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.59 112.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.509 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.2 pt -76.26 165.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.937 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 69.9 m -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.163 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.44 81.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 63.59 119.02 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.54 117.11 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 pp -162.73 6.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.87 -22.94 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -81.47 -20.54 40.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.727 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.69 -168.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 134.36 54.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -62.21 -69.55 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 68.3 t60 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.909 -179.981 . . . . . . . . 0 0 . 1 stop_ save_