data_1pcn_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 1pcn _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' ' ' VAL . . . . . . . . . . . . 1.888 14.9 m . . . . . 0 CA--C 1.596 2.723 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 1.388 60.4 Cg_endo -26.78 52.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.377 2.035 1 N-CA-C 137.373 9.72 . . . . 0.0 137.373 179.032 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 76.98 154.46 0.14 Allowed Pre-proline 0 CA--C 1.587 2.381 0 C-N-CA 126.332 1.853 . . . . 0.0 112.892 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -64.24 119.24 6.22 Favored 'Trans proline' 0 CA--C 1.57 2.309 0 C-N-CA 122.463 2.108 . . . . 0.0 115.429 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.807 0.0 OUTLIER -82.28 69.59 9.05 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.39 -14.86 63.1 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 118.88 2.312 . . . . 0.0 118.88 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.754 43.1 mm -83.18 65.24 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 pt -92.86 77.42 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 CA-C-O 122.422 1.106 . . . . 0.0 110.964 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 pt -122.39 -163.42 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.097 0 O-C-N 121.482 -0.761 . . . . 0.0 111.48 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 86.91 79.58 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 126.596 1.958 . . . . 0.0 111.342 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.7 tp -124.85 132.36 53.33 Favored 'General case' 0 CA--C 1.572 1.824 0 C-N-CA 124.851 1.26 . . . . 0.0 108.955 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.85 161.05 31.2 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 119.862 -1.774 . . . . 0.0 112.965 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -72.73 152.83 41.45 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-O 122.453 1.12 . . . . 0.0 112.29 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.61 19.62 40.38 Favored Glycine 0 CA--C 1.56 2.9 0 N-CA-C 115.987 1.155 . . . . 0.0 115.987 -172.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -132.0 153.56 50.23 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 125.158 1.383 . . . . 0.0 110.532 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -68.49 119.57 13.18 Favored 'General case' 0 CA--C 1.575 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 112.606 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -121.03 151.63 39.55 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.019 0.928 . . . . 0.0 113.087 -179.313 54.966 92.792 90.114 111.567 2.005 109.29 62.191 -172.02 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.96 -74.11 0.48 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -97.17 171.77 8.24 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.87 1.668 . . . . 0.0 113.861 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -77.1 -21.71 53.87 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 9.29 3.13 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -94.75 -35.89 11.93 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 124.675 1.19 . . . . 0.0 113.966 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -80.24 154.1 28.11 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 177.701 -63.789 160.683 83.125 111.491 2.0 108.564 173.652 -75.216 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -60.15 -54.55 44.56 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.901 0.88 . . . . 0.0 110.05 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.2 p -82.19 102.46 11.13 Favored 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -69.88 84.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 124.355 2.026 . . . . 0.0 112.074 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.5 t -161.34 77.29 0.55 Allowed 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 112.247 -2.251 . . . . 0.0 110.412 -173.959 168.982 67.702 85.084 111.124 1.994 108.748 -172.177 -72.912 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.36 112.95 17.1 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 172.362 -172.02 62.191 90.114 109.29 2.005 111.567 92.792 54.966 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.88 122.34 34.32 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -82.31 124.03 29.61 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.448 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.09 38.07 0.09 Allowed 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 117.466 2.395 . . . . 0.0 117.466 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.255 33.6 p 68.36 85.13 0.14 Allowed 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 126.001 1.721 . . . . 0.0 113.052 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.404 4.8 tp 61.34 -29.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.02 -30.31 69.08 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 174.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 0.311 26.2 p 84.9 0.24 0.83 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.83 92.48 2.53 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 121.421 1.919 . . . . 0.0 106.474 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.8 m -97.62 134.86 40.26 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 122.755 1.264 . . . . 0.0 113.424 -170.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -128.07 132.01 49.07 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 124.228 1.011 . . . . 0.0 109.336 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.19 147.56 53.15 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 124.846 2.26 . . . . 0.0 114.69 -177.908 -75.216 173.652 83.125 108.564 2.0 111.491 160.683 -63.789 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.65 -170.87 2.78 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 111.981 -2.372 . . . . 0.0 111.287 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.79 163.09 12.62 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 122.593 1.187 . . . . 0.0 111.626 174.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -72.9 156.08 39.23 Favored 'General case' 0 CA--C 1.576 1.952 0 O-C-N 121.177 -0.952 . . . . 0.0 112.589 174.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.14 36.77 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 124.094 1.902 . . . . 0.0 115.771 -173.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -110.39 168.32 9.54 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.948 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -52.01 127.25 20.82 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 78.1 12.67 1.72 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -107.31 153.46 22.71 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.27 -1.519 . . . . 0.0 112.125 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.57 134.15 50.72 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 123.167 1.461 . . . . 0.0 112.535 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -138.98 144.3 38.89 Favored 'General case' 0 CA--C 1.561 1.383 0 CA-C-N 112.956 -1.929 . . . . 0.0 112.675 -176.809 61.655 86.319 97.782 110.703 2.008 109.588 59.457 -169.191 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -79.36 119.93 23.09 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 172.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.61 66.39 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -107.37 153.87 22.14 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 125.357 1.463 . . . . 0.0 109.234 172.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.0 p -127.64 140.76 51.89 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.957 1.36 . . . . 0.0 110.061 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -165.74 1.3 Allowed 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.154 174.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -99.44 71.79 1.77 Allowed 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.8 -157.79 28.21 Favored Glycine 0 N--CA 1.484 1.872 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.3 t -80.65 145.46 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 CA-C-O 122.828 1.299 . . . . 0.0 112.587 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -114.33 139.1 49.73 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.535 1.16 . . . . 0.0 112.017 -174.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -78.8 -38.31 38.62 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -137.63 111.14 8.03 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 104.15 -2.537 . . . . 0.0 104.15 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.94 152.2 71.14 Favored Pre-proline 0 CA--C 1.586 2.363 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 -177.169 -72.912 -172.177 85.084 108.748 1.994 111.124 67.702 168.982 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.28 168.55 15.75 Favored 'Trans proline' 0 CA--C 1.571 2.372 0 C-N-CA 122.721 2.281 . . . . 0.0 115.774 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.2 m -72.91 161.31 30.86 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 -174.905 -61.507 -63.05 -90.584 110.448 2.006 110.534 -47.345 -72.041 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.8 171.69 7.51 Favored 'General case' 0 CA--C 1.578 2.028 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -61.7 119.63 9.06 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 120.459 -1.401 . . . . 0.0 112.898 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.05 -15.09 64.13 Favored Glycine 0 N--CA 1.498 2.818 0 N-CA-C 117.621 1.808 . . . . 0.0 117.621 -173.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -105.35 144.39 32.2 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 122.98 1.371 . . . . 0.0 111.89 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.49 155.96 17.29 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.02 0.914 . . . . 0.0 112.395 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.7 t -92.46 116.12 28.7 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 171.853 -169.191 59.457 97.782 109.588 2.008 110.703 86.319 61.655 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -93.39 74.21 4.5 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.396 -1.44 . . . . 0.0 111.497 -174.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.88 72.05 2.5 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 116.187 1.235 . . . . 0.0 116.187 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.55 -30.8 14.19 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.8 -81.37 0.07 Allowed 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 121.903 2.138 . . . . 0.0 110.248 -175.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m 42.14 46.73 3.83 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -129.35 68.14 1.42 Allowed 'General case' 0 CA--C 1.569 1.682 0 O-C-N 121.075 -1.015 . . . . 0.0 110.31 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.0 p -86.05 69.92 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 123.126 1.441 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.41 71.28 1.32 Allowed Glycine 0 N--CA 1.493 2.477 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.227 -173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . 1.819 19.0 m -90.64 116.48 28.56 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -172.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.5 -58.18 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 C-N-CA 124.305 1.042 . . . . 0.0 109.091 174.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 49.0 m -79.15 176.39 9.71 Favored 'General case' 0 CA--C 1.579 2.091 0 O-C-N 120.674 -1.266 . . . . 0.0 111.478 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.37 63.85 0.79 Allowed 'General case' 0 CA--C 1.582 2.201 0 O-C-N 119.819 -1.801 . . . . 0.0 114.347 174.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -119.7 84.45 2.21 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 124.153 1.93 . . . . 0.0 108.968 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -146.34 98.25 3.06 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-N 111.706 -2.497 . . . . 0.0 107.796 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -139.88 150.13 44.23 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 115.003 1.482 . . . . 0.0 115.003 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.24 176.4 41.96 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 115.522 0.969 . . . . 0.0 115.522 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.2 mm -112.81 139.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.74 -0.859 . . . . 0.0 109.605 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 68.2 m -70.53 120.52 16.28 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 176.445 -72.041 -47.345 -90.584 110.534 2.006 110.448 -63.05 -61.507 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -141.3 161.77 37.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.15 -0.969 . . . . 0.0 111.098 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -91.75 75.8 5.7 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 124.083 1.896 . . . . 0.0 113.346 -173.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.74 -42.55 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 112.49 -2.141 . . . . 0.0 111.998 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.46 63.77 3.91 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 117.726 1.85 . . . . 0.0 117.726 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -129.59 -61.06 1.03 Allowed 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 123.608 0.763 . . . . 0.0 110.945 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . 0.761 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 124.351 2.024 . . . . 0.0 111.364 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 1.888 14.9 m . . . . . 0 CA--C 1.596 2.723 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 1.388 60.4 Cg_endo -26.78 52.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.377 2.035 1 N-CA-C 137.373 9.72 . . . . 0.0 137.373 179.032 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 76.98 154.46 0.14 Allowed Pre-proline 0 CA--C 1.587 2.381 0 C-N-CA 126.332 1.853 . . . . 0.0 112.892 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -64.24 119.24 6.22 Favored 'Trans proline' 0 CA--C 1.57 2.309 0 C-N-CA 122.463 2.108 . . . . 0.0 115.429 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 5' ' ' ARG 0.807 0.0 OUTLIER -82.28 69.59 9.05 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.091 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.39 -14.86 63.1 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 118.88 2.312 . . . . 0.0 118.88 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.754 43.1 mm -83.18 65.24 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 pt -92.86 77.42 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 CA-C-O 122.422 1.106 . . . . 0.0 110.964 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 pt -122.39 -163.42 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.097 0 O-C-N 121.482 -0.761 . . . . 0.0 111.48 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 86.91 79.58 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 126.596 1.958 . . . . 0.0 111.342 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.7 tp -124.85 132.36 53.33 Favored 'General case' 0 CA--C 1.572 1.824 0 C-N-CA 124.851 1.26 . . . . 0.0 108.955 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.85 161.05 31.2 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 119.862 -1.774 . . . . 0.0 112.965 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -72.73 152.83 41.45 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-O 122.453 1.12 . . . . 0.0 112.29 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.61 19.62 40.38 Favored Glycine 0 CA--C 1.56 2.9 0 N-CA-C 115.987 1.155 . . . . 0.0 115.987 -172.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -132.0 153.56 50.23 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 125.158 1.383 . . . . 0.0 110.532 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -68.49 119.57 13.18 Favored 'General case' 0 CA--C 1.575 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 112.606 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -121.03 151.63 39.55 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.019 0.928 . . . . 0.0 113.087 -179.313 54.966 92.792 90.114 111.567 2.005 109.29 62.191 -172.02 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.96 -74.11 0.48 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -97.17 171.77 8.24 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.87 1.668 . . . . 0.0 113.861 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -77.1 -21.71 53.87 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 9.29 3.13 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -94.75 -35.89 11.93 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 124.675 1.19 . . . . 0.0 113.966 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -80.24 154.1 28.11 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 177.701 -63.789 160.683 83.125 111.491 2.0 108.564 173.652 -75.216 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -60.15 -54.55 44.56 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.901 0.88 . . . . 0.0 110.05 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.2 p -82.19 102.46 11.13 Favored 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -69.88 84.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 124.355 2.026 . . . . 0.0 112.074 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.5 t -161.34 77.29 0.55 Allowed 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 112.247 -2.251 . . . . 0.0 110.412 -173.959 168.982 67.702 85.084 111.124 1.994 108.748 -172.177 -72.912 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.36 112.95 17.1 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 172.362 -172.02 62.191 90.114 109.29 2.005 111.567 92.792 54.966 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.88 122.34 34.32 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 57' ' ' VAL . 13.9 t-80 -82.31 124.03 29.61 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.448 -177.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.09 38.07 0.09 Allowed 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 117.466 2.395 . . . . 0.0 117.466 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.255 33.6 p 68.36 85.13 0.14 Allowed 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 126.001 1.721 . . . . 0.0 113.052 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.404 4.8 tp 61.34 -29.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.02 -30.31 69.08 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 174.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 0.311 26.2 p 84.9 0.24 0.83 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.83 92.48 2.53 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 121.421 1.919 . . . . 0.0 106.474 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.8 m -97.62 134.86 40.26 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 122.755 1.264 . . . . 0.0 113.424 -170.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -128.07 132.01 49.07 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 124.228 1.011 . . . . 0.0 109.336 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.19 147.56 53.15 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 124.846 2.26 . . . . 0.0 114.69 -177.908 -75.216 173.652 83.125 108.564 2.0 111.491 160.683 -63.789 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.65 -170.87 2.78 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 111.981 -2.372 . . . . 0.0 111.287 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.79 163.09 12.62 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 122.593 1.187 . . . . 0.0 111.626 174.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -72.9 156.08 39.23 Favored 'General case' 0 CA--C 1.576 1.952 0 O-C-N 121.177 -0.952 . . . . 0.0 112.589 174.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.14 36.77 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 124.094 1.902 . . . . 0.0 115.771 -173.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -110.39 168.32 9.54 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.948 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -52.01 127.25 20.82 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 78.1 12.67 1.72 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -107.31 153.46 22.71 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.27 -1.519 . . . . 0.0 112.125 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.57 134.15 50.72 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 123.167 1.461 . . . . 0.0 112.535 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -138.98 144.3 38.89 Favored 'General case' 0 CA--C 1.561 1.383 0 CA-C-N 112.956 -1.929 . . . . 0.0 112.675 -176.809 61.655 86.319 97.782 110.703 2.008 109.588 59.457 -169.191 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -79.36 119.93 23.09 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 172.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.61 66.39 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -107.37 153.87 22.14 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 125.357 1.463 . . . . 0.0 109.234 172.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.0 p -127.64 140.76 51.89 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.957 1.36 . . . . 0.0 110.061 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -165.74 1.3 Allowed 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.154 174.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -99.44 71.79 1.77 Allowed 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.8 -157.79 28.21 Favored Glycine 0 N--CA 1.484 1.872 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 30' ' ' HIS . 8.3 t -80.65 145.46 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 CA-C-O 122.828 1.299 . . . . 0.0 112.587 -170.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -114.33 139.1 49.73 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.535 1.16 . . . . 0.0 112.017 -174.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -78.8 -38.31 38.62 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -137.63 111.14 8.03 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 104.15 -2.537 . . . . 0.0 104.15 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.94 152.2 71.14 Favored Pre-proline 0 CA--C 1.586 2.363 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 -177.169 -72.912 -172.177 85.084 108.748 1.994 111.124 67.702 168.982 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.28 168.55 15.75 Favored 'Trans proline' 0 CA--C 1.571 2.372 0 C-N-CA 122.721 2.281 . . . . 0.0 115.774 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.2 m -72.91 161.31 30.86 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 -174.905 -61.507 -63.05 -90.584 110.448 2.006 110.534 -47.345 -72.041 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.8 171.69 7.51 Favored 'General case' 0 CA--C 1.578 2.028 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -61.7 119.63 9.06 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 120.459 -1.401 . . . . 0.0 112.898 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.05 -15.09 64.13 Favored Glycine 0 N--CA 1.498 2.818 0 N-CA-C 117.621 1.808 . . . . 0.0 117.621 -173.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -105.35 144.39 32.2 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 122.98 1.371 . . . . 0.0 111.89 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.49 155.96 17.29 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.02 0.914 . . . . 0.0 112.395 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.7 t -92.46 116.12 28.7 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 171.853 -169.191 59.457 97.782 109.588 2.008 110.703 86.319 61.655 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -93.39 74.21 4.5 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.396 -1.44 . . . . 0.0 111.497 -174.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.88 72.05 2.5 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 116.187 1.235 . . . . 0.0 116.187 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.55 -30.8 14.19 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.8 -81.37 0.07 Allowed 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 121.903 2.138 . . . . 0.0 110.248 -175.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m 42.14 46.73 3.83 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -129.35 68.14 1.42 Allowed 'General case' 0 CA--C 1.569 1.682 0 O-C-N 121.075 -1.015 . . . . 0.0 110.31 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.0 p -86.05 69.92 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 123.126 1.441 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.41 71.28 1.32 Allowed Glycine 0 N--CA 1.493 2.477 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.227 -173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . 1.819 19.0 m -90.64 116.48 28.56 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -172.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.5 -58.18 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 C-N-CA 124.305 1.042 . . . . 0.0 109.091 174.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 49.0 m -79.15 176.39 9.71 Favored 'General case' 0 CA--C 1.579 2.091 0 O-C-N 120.674 -1.266 . . . . 0.0 111.478 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.37 63.85 0.79 Allowed 'General case' 0 CA--C 1.582 2.201 0 O-C-N 119.819 -1.801 . . . . 0.0 114.347 174.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -119.7 84.45 2.21 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 124.153 1.93 . . . . 0.0 108.968 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -146.34 98.25 3.06 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-N 111.706 -2.497 . . . . 0.0 107.796 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -139.88 150.13 44.23 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 115.003 1.482 . . . . 0.0 115.003 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.24 176.4 41.96 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 115.522 0.969 . . . . 0.0 115.522 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.2 mm -112.81 139.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.74 -0.859 . . . . 0.0 109.605 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 68.2 m -70.53 120.52 16.28 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 176.445 -72.041 -47.345 -90.584 110.534 2.006 110.448 -63.05 -61.507 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -141.3 161.77 37.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.15 -0.969 . . . . 0.0 111.098 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -91.75 75.8 5.7 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 124.083 1.896 . . . . 0.0 113.346 -173.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.74 -42.55 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 112.49 -2.141 . . . . 0.0 111.998 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.46 63.77 3.91 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 117.726 1.85 . . . . 0.0 117.726 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -129.59 -61.06 1.03 Allowed 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 123.608 0.763 . . . . 0.0 110.945 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . 0.761 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 124.351 2.024 . . . . 0.0 111.364 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 1.888 14.9 m . . . . . 0 CA--C 1.596 2.723 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 1.388 60.4 Cg_endo -26.78 52.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.377 2.035 1 N-CA-C 137.373 9.72 . . . . 0.0 137.373 179.032 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 76.98 154.46 0.14 Allowed Pre-proline 0 CA--C 1.587 2.381 0 C-N-CA 126.332 1.853 . . . . 0.0 112.892 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -64.24 119.24 6.22 Favored 'Trans proline' 0 CA--C 1.57 2.309 0 C-N-CA 122.463 2.108 . . . . 0.0 115.429 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 5' ' ' ARG 0.807 0.0 OUTLIER -82.28 69.59 9.05 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.091 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.39 -14.86 63.1 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 118.88 2.312 . . . . 0.0 118.88 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.754 43.1 mm -83.18 65.24 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 pt -92.86 77.42 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 CA-C-O 122.422 1.106 . . . . 0.0 110.964 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 pt -122.39 -163.42 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.097 0 O-C-N 121.482 -0.761 . . . . 0.0 111.48 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 86.91 79.58 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 126.596 1.958 . . . . 0.0 111.342 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.7 tp -124.85 132.36 53.33 Favored 'General case' 0 CA--C 1.572 1.824 0 C-N-CA 124.851 1.26 . . . . 0.0 108.955 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.85 161.05 31.2 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 119.862 -1.774 . . . . 0.0 112.965 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -72.73 152.83 41.45 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-O 122.453 1.12 . . . . 0.0 112.29 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.61 19.62 40.38 Favored Glycine 0 CA--C 1.56 2.9 0 N-CA-C 115.987 1.155 . . . . 0.0 115.987 -172.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -132.0 153.56 50.23 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 125.158 1.383 . . . . 0.0 110.532 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -68.49 119.57 13.18 Favored 'General case' 0 CA--C 1.575 1.91 0 O-C-N 121.065 -1.022 . . . . 0.0 112.606 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -121.03 151.63 39.55 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.019 0.928 . . . . 0.0 113.087 -179.313 54.966 92.792 90.114 111.567 2.005 109.29 62.191 -172.02 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.96 -74.11 0.48 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -97.17 171.77 8.24 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.87 1.668 . . . . 0.0 113.861 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -77.1 -21.71 53.87 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.11 9.29 3.13 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -94.75 -35.89 11.93 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 124.675 1.19 . . . . 0.0 113.966 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -80.24 154.1 28.11 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 177.701 -63.789 160.683 83.125 111.491 2.0 108.564 173.652 -75.216 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -60.15 -54.55 44.56 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.901 0.88 . . . . 0.0 110.05 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.2 p -82.19 102.46 11.13 Favored 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -69.88 84.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 124.355 2.026 . . . . 0.0 112.074 -173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.5 t -161.34 77.29 0.55 Allowed 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 112.247 -2.251 . . . . 0.0 110.412 -173.959 168.982 67.702 85.084 111.124 1.994 108.748 -172.177 -72.912 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.36 112.95 17.1 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 172.362 -172.02 62.191 90.114 109.29 2.005 111.567 92.792 54.966 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.88 122.34 34.32 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 57' ' ' VAL . 13.9 t-80 -82.31 124.03 29.61 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.448 -177.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.09 38.07 0.09 Allowed 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 117.466 2.395 . . . . 0.0 117.466 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.255 33.6 p 68.36 85.13 0.14 Allowed 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 126.001 1.721 . . . . 0.0 113.052 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.404 4.8 tp 61.34 -29.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 N-CA-C 118.495 2.776 . . . . 0.0 118.495 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.02 -30.31 69.08 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 116.28 1.955 . . . . 0.0 116.28 174.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . 0.311 26.2 p 84.9 0.24 0.83 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.83 92.48 2.53 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 121.421 1.919 . . . . 0.0 106.474 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.8 m -97.62 134.86 40.26 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 122.755 1.264 . . . . 0.0 113.424 -170.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -128.07 132.01 49.07 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 124.228 1.011 . . . . 0.0 109.336 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.19 147.56 53.15 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 124.846 2.26 . . . . 0.0 114.69 -177.908 -75.216 173.652 83.125 108.564 2.0 111.491 160.683 -63.789 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.65 -170.87 2.78 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 111.981 -2.372 . . . . 0.0 111.287 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.79 163.09 12.62 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 122.593 1.187 . . . . 0.0 111.626 174.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -72.9 156.08 39.23 Favored 'General case' 0 CA--C 1.576 1.952 0 O-C-N 121.177 -0.952 . . . . 0.0 112.589 174.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.43 150.14 36.77 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 124.094 1.902 . . . . 0.0 115.771 -173.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -110.39 168.32 9.54 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.948 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -52.01 127.25 20.82 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 78.1 12.67 1.72 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -107.31 153.46 22.71 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.27 -1.519 . . . . 0.0 112.125 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.57 134.15 50.72 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 123.167 1.461 . . . . 0.0 112.535 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -138.98 144.3 38.89 Favored 'General case' 0 CA--C 1.561 1.383 0 CA-C-N 112.956 -1.929 . . . . 0.0 112.675 -176.809 61.655 86.319 97.782 110.703 2.008 109.588 59.457 -169.191 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -79.36 119.93 23.09 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 172.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.61 66.39 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -107.37 153.87 22.14 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 125.357 1.463 . . . . 0.0 109.234 172.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.0 p -127.64 140.76 51.89 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.957 1.36 . . . . 0.0 110.061 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -165.74 1.3 Allowed 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.154 174.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -99.44 71.79 1.77 Allowed 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.8 -157.79 28.21 Favored Glycine 0 N--CA 1.484 1.872 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 30' ' ' HIS . 8.3 t -80.65 145.46 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 CA-C-O 122.828 1.299 . . . . 0.0 112.587 -170.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -114.33 139.1 49.73 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.535 1.16 . . . . 0.0 112.017 -174.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -78.8 -38.31 38.62 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -137.63 111.14 8.03 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 104.15 -2.537 . . . . 0.0 104.15 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.94 152.2 71.14 Favored Pre-proline 0 CA--C 1.586 2.363 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 -177.169 -72.912 -172.177 85.084 108.748 1.994 111.124 67.702 168.982 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.28 168.55 15.75 Favored 'Trans proline' 0 CA--C 1.571 2.372 0 C-N-CA 122.721 2.281 . . . . 0.0 115.774 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.2 m -72.91 161.31 30.86 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.67 2.1 . . . . 0.0 116.67 -174.905 -61.507 -63.05 -90.584 110.448 2.006 110.534 -47.345 -72.041 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.8 171.69 7.51 Favored 'General case' 0 CA--C 1.578 2.028 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -61.7 119.63 9.06 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 120.459 -1.401 . . . . 0.0 112.898 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.05 -15.09 64.13 Favored Glycine 0 N--CA 1.498 2.818 0 N-CA-C 117.621 1.808 . . . . 0.0 117.621 -173.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -105.35 144.39 32.2 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 122.98 1.371 . . . . 0.0 111.89 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.49 155.96 17.29 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.02 0.914 . . . . 0.0 112.395 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.7 t -92.46 116.12 28.7 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 171.853 -169.191 59.457 97.782 109.588 2.008 110.703 86.319 61.655 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -93.39 74.21 4.5 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.396 -1.44 . . . . 0.0 111.497 -174.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.88 72.05 2.5 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 116.187 1.235 . . . . 0.0 116.187 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.55 -30.8 14.19 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.8 -81.37 0.07 Allowed 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 121.903 2.138 . . . . 0.0 110.248 -175.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m 42.14 46.73 3.83 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -129.35 68.14 1.42 Allowed 'General case' 0 CA--C 1.569 1.682 0 O-C-N 121.075 -1.015 . . . . 0.0 110.31 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.0 p -86.05 69.92 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 123.126 1.441 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.41 71.28 1.32 Allowed Glycine 0 N--CA 1.493 2.477 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.227 -173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . 1.819 19.0 m -90.64 116.48 28.56 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -172.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.5 -58.18 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 C-N-CA 124.305 1.042 . . . . 0.0 109.091 174.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 49.0 m -79.15 176.39 9.71 Favored 'General case' 0 CA--C 1.579 2.091 0 O-C-N 120.674 -1.266 . . . . 0.0 111.478 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.37 63.85 0.79 Allowed 'General case' 0 CA--C 1.582 2.201 0 O-C-N 119.819 -1.801 . . . . 0.0 114.347 174.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -119.7 84.45 2.21 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 124.153 1.93 . . . . 0.0 108.968 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -146.34 98.25 3.06 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-N 111.706 -2.497 . . . . 0.0 107.796 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -139.88 150.13 44.23 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 115.003 1.482 . . . . 0.0 115.003 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.24 176.4 41.96 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 115.522 0.969 . . . . 0.0 115.522 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.2 mm -112.81 139.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.74 -0.859 . . . . 0.0 109.605 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 68.2 m -70.53 120.52 16.28 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 176.445 -72.041 -47.345 -90.584 110.534 2.006 110.448 -63.05 -61.507 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -141.3 161.77 37.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.15 -0.969 . . . . 0.0 111.098 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -91.75 75.8 5.7 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 124.083 1.896 . . . . 0.0 113.346 -173.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.74 -42.55 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 112.49 -2.141 . . . . 0.0 111.998 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.46 63.77 3.91 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 117.726 1.85 . . . . 0.0 117.726 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -129.59 -61.06 1.03 Allowed 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 123.608 0.763 . . . . 0.0 110.945 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . 0.761 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 124.351 2.024 . . . . 0.0 111.364 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ' OH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_