data_1fvs_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 1fvs _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 full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -161.19 163.66 31.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.655 1.982 . . . . 0.0 108.165 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -93.73 146.97 23.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.277 0.986 . . . . 0.0 109.593 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.95 142.02 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.479 0.712 . . . . 0.0 109.424 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.5 mt -98.58 129.47 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 124.204 1.002 . . . . 0.0 109.631 171.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -106.81 115.51 30.32 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 168.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.61 126.74 30.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.91 127.45 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -167.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -130.85 148.63 52.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.446 1.099 . . . . 0.0 109.166 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.91 -62.93 0.29 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.35 141.08 12.37 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.996 0.519 . . . . 0.0 110.944 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.6 m -150.5 17.88 0.82 Allowed 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.494 -0.754 . . . . 0.0 109.966 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 p -143.22 164.02 31.33 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 120.439 -1.413 . . . . 0.0 113.546 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -53.32 -47.5 69.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 113.603 -1.635 . . . . 0.0 110.116 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.26 75.58 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.054 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.9 m -72.75 -53.03 12.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 p -63.17 -30.95 71.99 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -66.14 -55.85 14.36 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -43.75 -45.5 7.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.518 1.127 . . . . 0.0 110.884 170.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mt -64.87 -66.21 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -56.33 -36.01 68.25 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.271 -0.572 . . . . 0.0 112.339 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.4 m -50.9 -48.8 60.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.499 1.119 . . . . 0.0 111.771 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -66.01 -49.23 68.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -50.76 -47.22 59.56 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.19 0.519 . . . . 0.0 110.328 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.95 -36.19 48.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.15 0.58 . . . . 0.0 111.818 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.75 23.69 11.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.11 -102.58 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.23 0.923 . . . . 0.0 108.961 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -156.67 -62.97 0.1 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 121.521 -0.737 . . . . 0.0 109.036 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.42 41.07 2.45 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-O 118.672 -1.071 . . . . 0.0 111.619 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -114.35 118.23 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 C-N-CA 124.904 1.282 . . . . 0.0 108.755 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.39 -40.64 12.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.382 1.073 . . . . 0.0 112.7 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -146.29 161.27 40.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.8 t -162.94 113.02 1.4 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.296 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -129.11 107.73 9.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.746 1.618 . . . . 0.0 107.146 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 tt -93.14 152.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 111.847 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -135.13 121.1 19.84 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 112.02 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.53 3.79 10.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.183 164.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.23 -61.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.739 1.154 . . . . 0.0 108.866 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 p -77.07 -22.36 53.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.574 0.35 . . . . 0.0 111.618 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 m120 63.97 45.39 4.26 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.975 0.91 . . . . 0.0 109.115 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -127.77 159.25 35.38 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 165.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.55 125.84 51.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 163.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -99.96 132.62 45.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.99 138.81 48.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 m -102.0 116.08 31.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -117.95 157.3 26.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.536 0.607 . . . . 0.0 109.532 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . 0.267 6.0 t0 -88.27 -83.5 0.21 Allowed 'General case' 0 C--N 1.342 0.253 0 O-C-N 124.058 0.849 . . . . 0.0 111.084 175.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.49 -48.31 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.175 1.39 . . . . 0.0 110.127 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.04 -33.82 12.16 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -122.28 134.83 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 p -122.15 170.17 10.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.179 1.391 . . . . 0.0 109.991 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.79 -26.45 3.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.608 1.563 . . . . 0.0 112.286 173.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.94 -60.11 3.91 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.193 0.997 . . . . 0.0 110.257 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.5 t -61.09 -50.46 73.19 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.508 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 mt -50.51 -52.27 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.968 0.907 . . . . 0.0 112.348 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -42.37 -56.41 3.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 170.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.91 -52.42 65.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.924 0.49 . . . . 0.0 111.36 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.6 mm -47.07 -53.79 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 122.208 1.004 . . . . 0.0 110.388 172.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.18 -37.51 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.717 -176.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -61.08 -54.62 42.4 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.543 1.065 . . . . 0.0 109.461 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.22 -40.03 57.88 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.43 1.892 . . . . 0.0 112.186 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.0 m -47.34 -32.58 4.94 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.692 0.397 . . . . 0.0 111.99 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.93 43.89 0.25 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.978 1.275 . . . . 0.0 111.528 164.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.65 -177.87 5.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.766 0.783 . . . . 0.0 110.434 -175.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.25 112.92 24.55 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -137.01 162.99 31.79 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.168 0.895 . . . . 0.0 111.887 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -148.98 147.93 29.17 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.991 0.917 . . . . 0.0 110.065 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.7 tt -55.34 106.56 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 165.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -48.22 10.54 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.12 164.91 3.38 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.364 0.529 . . . . 0.0 110.965 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.77 103.81 2.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.379 0.536 . . . . 0.0 110.449 170.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.252 1.222 0 C-N-CA 129.805 3.242 . . . . 0.0 114.127 154.228 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . . . . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -161.19 163.66 31.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.655 1.982 . . . . 0.0 108.165 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -93.73 146.97 23.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.277 0.986 . . . . 0.0 109.593 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 52' ' ' ALA . 7.9 p -132.95 142.02 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.479 0.712 . . . . 0.0 109.424 169.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 41' ' ' GLU . 1.5 mt -98.58 129.47 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 124.204 1.002 . . . . 0.0 109.631 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -106.81 115.51 30.32 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 168.407 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.61 126.74 30.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.91 127.45 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -167.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -130.85 148.63 52.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.446 1.099 . . . . 0.0 109.166 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.91 -62.93 0.29 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.35 141.08 12.37 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.996 0.519 . . . . 0.0 110.944 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 12' ' ' THR . 49.6 m -150.5 17.88 0.82 Allowed 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.494 -0.754 . . . . 0.0 109.966 176.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 p -143.22 164.02 31.33 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 120.439 -1.413 . . . . 0.0 113.546 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -53.32 -47.5 69.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 113.603 -1.635 . . . . 0.0 110.116 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.26 75.58 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.054 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.9 m -72.75 -53.03 12.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.494 HG21 ' HG ' ' A' ' 37' ' ' LEU . 29.8 p -63.17 -30.95 71.99 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 55.8 t30 -66.14 -55.85 14.36 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -43.75 -45.5 7.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.518 1.127 . . . . 0.0 110.884 170.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mt -64.87 -66.21 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 1.2 p30 -56.33 -36.01 68.25 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.271 -0.572 . . . . 0.0 112.339 -171.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.4 m -50.9 -48.8 60.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.499 1.119 . . . . 0.0 111.771 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -66.01 -49.23 68.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -50.76 -47.22 59.56 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.19 0.519 . . . . 0.0 110.328 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.95 -36.19 48.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.15 0.58 . . . . 0.0 111.818 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.75 23.69 11.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.11 -102.58 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.23 0.923 . . . . 0.0 108.961 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -156.67 -62.97 0.1 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 121.521 -0.737 . . . . 0.0 109.036 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.42 41.07 2.45 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-O 118.672 -1.071 . . . . 0.0 111.619 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -114.35 118.23 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 C-N-CA 124.904 1.282 . . . . 0.0 108.755 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.39 -40.64 12.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.382 1.073 . . . . 0.0 112.7 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -146.29 161.27 40.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.8 t -162.94 113.02 1.4 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.296 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -129.11 107.73 9.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.746 1.618 . . . . 0.0 107.146 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 tt -93.14 152.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 111.847 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -135.13 121.1 19.84 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 112.02 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HG ' HG21 ' A' ' 17' ' ' THR . 28.3 mt -76.53 3.79 10.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.183 164.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.23 -61.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.739 1.154 . . . . 0.0 108.866 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 p -77.07 -22.36 53.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.574 0.35 . . . . 0.0 111.618 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 m120 63.97 45.39 4.26 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.975 0.91 . . . . 0.0 109.115 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' HB2' HG22 ' A' ' 5' ' ' ILE . 2.0 pt-20 -127.77 159.25 35.38 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 165.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.55 125.84 51.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 163.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -99.96 132.62 45.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG11 HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -134.99 138.81 48.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 m -102.0 116.08 31.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -117.95 157.3 26.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.536 0.607 . . . . 0.0 109.532 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 1' ' ' ALA 0.267 6.0 t0 -88.27 -83.5 0.21 Allowed 'General case' 0 C--N 1.342 0.253 0 O-C-N 124.058 0.849 . . . . 0.0 111.084 175.665 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.49 -48.31 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.175 1.39 . . . . 0.0 110.127 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.04 -33.82 12.16 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -122.28 134.83 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 p -122.15 170.17 10.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.179 1.391 . . . . 0.0 109.991 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.668 ' CB ' HD12 ' A' ' 68' ' ' ILE . . . -49.79 -26.45 3.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.608 1.563 . . . . 0.0 112.286 173.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.94 -60.11 3.91 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.193 0.997 . . . . 0.0 110.257 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.5 t -61.09 -50.46 73.19 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.508 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.631 HD13 HG11 ' A' ' 44' ' ' VAL . 6.0 mt -50.51 -52.27 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.968 0.907 . . . . 0.0 112.348 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -42.37 -56.41 3.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 170.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.91 -52.42 65.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.924 0.49 . . . . 0.0 111.36 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.6 mm -47.07 -53.79 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 122.208 1.004 . . . . 0.0 110.388 172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.18 -37.51 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.717 -176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -61.08 -54.62 42.4 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.543 1.065 . . . . 0.0 109.461 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.22 -40.03 57.88 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.43 1.892 . . . . 0.0 112.186 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.0 m -47.34 -32.58 4.94 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.692 0.397 . . . . 0.0 111.99 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.93 43.89 0.25 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.978 1.275 . . . . 0.0 111.528 164.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.65 -177.87 5.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.766 0.783 . . . . 0.0 110.434 -175.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.25 112.92 24.55 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -137.01 162.99 31.79 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.168 0.895 . . . . 0.0 111.887 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -148.98 147.93 29.17 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.991 0.917 . . . . 0.0 110.065 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.668 HD12 ' CB ' ' A' ' 52' ' ' ALA . 10.7 tt -55.34 106.56 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 165.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -48.22 10.54 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.12 164.91 3.38 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.364 0.529 . . . . 0.0 110.965 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.77 103.81 2.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.379 0.536 . . . . 0.0 110.449 170.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.252 1.222 0 C-N-CA 129.805 3.242 . . . . 0.0 114.127 154.228 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . . . . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -161.19 163.66 31.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.655 1.982 . . . . 0.0 108.165 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -93.73 146.97 23.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.277 0.986 . . . . 0.0 109.593 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 52' ' ' ALA . 7.9 p -132.95 142.02 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.479 0.712 . . . . 0.0 109.424 169.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 41' ' ' GLU . 1.5 mt -98.58 129.47 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 124.204 1.002 . . . . 0.0 109.631 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -106.81 115.51 30.32 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 168.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.61 126.74 30.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.91 127.45 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -167.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -130.85 148.63 52.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.446 1.099 . . . . 0.0 109.166 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.91 -62.93 0.29 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.35 141.08 12.37 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.996 0.519 . . . . 0.0 110.944 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 12' ' ' THR . 49.6 m -150.5 17.88 0.82 Allowed 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.494 -0.754 . . . . 0.0 109.966 176.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 p -143.22 164.02 31.33 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 120.439 -1.413 . . . . 0.0 113.546 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -53.32 -47.5 69.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 113.603 -1.635 . . . . 0.0 110.116 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.26 75.58 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.054 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.9 m -72.75 -53.03 12.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.494 HG21 ' HG ' ' A' ' 37' ' ' LEU . 29.8 p -63.17 -30.95 71.99 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 55.8 t30 -66.14 -55.85 14.36 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -43.75 -45.5 7.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.518 1.127 . . . . 0.0 110.884 170.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mt -64.87 -66.21 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 1.2 p30 -56.33 -36.01 68.25 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.271 -0.572 . . . . 0.0 112.339 -171.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.4 m -50.9 -48.8 60.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.499 1.119 . . . . 0.0 111.771 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -66.01 -49.23 68.5 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -50.76 -47.22 59.56 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.19 0.519 . . . . 0.0 110.328 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.95 -36.19 48.52 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.15 0.58 . . . . 0.0 111.818 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.75 23.69 11.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.11 -102.58 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.23 0.923 . . . . 0.0 108.961 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -156.67 -62.97 0.1 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 121.521 -0.737 . . . . 0.0 109.036 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.42 41.07 2.45 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-O 118.672 -1.071 . . . . 0.0 111.619 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -114.35 118.23 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 C-N-CA 124.904 1.282 . . . . 0.0 108.755 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.39 -40.64 12.6 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.382 1.073 . . . . 0.0 112.7 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -146.29 161.27 40.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.8 t -162.94 113.02 1.4 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.296 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -129.11 107.73 9.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.746 1.618 . . . . 0.0 107.146 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 tt -93.14 152.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 111.847 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -135.13 121.1 19.84 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 112.02 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HG ' HG21 ' A' ' 17' ' ' THR . 28.3 mt -76.53 3.79 10.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.183 164.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.23 -61.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 119.739 1.154 . . . . 0.0 108.866 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.7 p -77.07 -22.36 53.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.574 0.35 . . . . 0.0 111.618 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 m120 63.97 45.39 4.26 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.975 0.91 . . . . 0.0 109.115 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' HB2' HG22 ' A' ' 5' ' ' ILE . 2.0 pt-20 -127.77 159.25 35.38 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 165.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.55 125.84 51.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 163.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -99.96 132.62 45.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG11 HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -134.99 138.81 48.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 m -102.0 116.08 31.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -117.95 157.3 26.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.536 0.607 . . . . 0.0 109.532 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 1' ' ' ALA 0.267 6.0 t0 -88.27 -83.5 0.21 Allowed 'General case' 0 C--N 1.342 0.253 0 O-C-N 124.058 0.849 . . . . 0.0 111.084 175.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.49 -48.31 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.175 1.39 . . . . 0.0 110.127 173.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.04 -33.82 12.16 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -122.28 134.83 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 p -122.15 170.17 10.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.179 1.391 . . . . 0.0 109.991 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.668 ' CB ' HD12 ' A' ' 68' ' ' ILE . . . -49.79 -26.45 3.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.608 1.563 . . . . 0.0 112.286 173.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.94 -60.11 3.91 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.193 0.997 . . . . 0.0 110.257 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.5 t -61.09 -50.46 73.19 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.508 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.631 HD13 HG11 ' A' ' 44' ' ' VAL . 6.0 mt -50.51 -52.27 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.968 0.907 . . . . 0.0 112.348 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -42.37 -56.41 3.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 170.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.91 -52.42 65.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 122.924 0.49 . . . . 0.0 111.36 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.6 mm -47.07 -53.79 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 122.208 1.004 . . . . 0.0 110.388 172.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.18 -37.51 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.717 -176.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -61.08 -54.62 42.4 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.543 1.065 . . . . 0.0 109.461 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -51.22 -40.03 57.88 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.43 1.892 . . . . 0.0 112.186 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.0 m -47.34 -32.58 4.94 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.692 0.397 . . . . 0.0 111.99 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.93 43.89 0.25 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.978 1.275 . . . . 0.0 111.528 164.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.65 -177.87 5.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.766 0.783 . . . . 0.0 110.434 -175.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.25 112.92 24.55 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -137.01 162.99 31.79 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.168 0.895 . . . . 0.0 111.887 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -148.98 147.93 29.17 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.991 0.917 . . . . 0.0 110.065 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.668 HD12 ' CB ' ' A' ' 52' ' ' ALA . 10.7 tt -55.34 106.56 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 165.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -48.22 10.54 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.12 164.91 3.38 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.364 0.529 . . . . 0.0 110.965 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.77 103.81 2.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.379 0.536 . . . . 0.0 110.449 170.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.252 1.222 0 C-N-CA 129.805 3.242 . . . . 0.0 114.127 154.228 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_