data_2arw_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 2arw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mmm . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 117.234 2.309 . . . . 12.0 117.234 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.7 -154.51 22.15 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.66 1.6 . . . . 12.0 109.364 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 tt -73.73 80.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 122.391 1.091 . . . . 12.0 112.192 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 4' ' ' LEU 0.254 0.3 OUTLIER -67.69 -7.68 28.96 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.845 1.054 . . . . 12.0 113.845 174.346 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.468 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -11.35 92.48 0.04 OUTLIER Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 128.006 2.523 . . . . 12.0 115.758 -176.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 5' ' ' GLN . 67.2 Cg_endo -64.4 150.55 88.06 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 121.392 1.395 . . . . 12.0 109.381 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' PRO . 2.5 m-20 -77.48 151.73 80.69 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.86 -1.064 . . . . 12.0 112.486 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 31' ' ' PRO . 21.0 Cg_endo -60.9 146.98 96.81 Favored 'Trans proline' 0 N--CA 1.482 0.839 0 C-N-CA 123.081 2.521 . . . . 12.0 111.64 170.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HG3' ' HB3' ' A' ' 82' ' ' LEU . 28.6 Cg_endo -60.0 152.62 63.53 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.791 2.327 . . . . 12.0 113.656 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.4 166.72 10.55 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 112.416 -2.175 . . . . 12.0 108.556 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.7 t-20 53.02 35.54 19.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 122.829 1.3 . . . . 12.0 113.52 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.98 94.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 114.044 -1.434 . . . . 12.0 111.02 172.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.5 m -119.78 143.66 47.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 112.481 -2.145 . . . . 12.0 109.736 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.596 HG21 HD23 ' A' ' 24' ' ' LEU . 13.1 p -139.61 140.11 37.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 112.657 -2.065 . . . . 12.0 109.904 170.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 25' ' ' SER . 3.1 t -135.79 165.59 25.25 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.247 -1.342 . . . . 12.0 112.44 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.95 62.2 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 116.11 1.893 . . . . 12.0 116.11 -174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG22 ' OG ' ' A' ' 25' ' ' SER . 1.9 t 58.73 144.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 126.531 1.933 . . . . 12.0 109.416 -163.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.15 101.13 2.71 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.844 -0.616 . . . . 12.0 110.571 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' NH1' ' HD3' ' A' ' 21' ' ' PRO 0.273 0.0 OUTLIER 79.4 -24.6 0.21 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.224 1.935 . . . . 12.0 116.224 170.812 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.512 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-20 -38.2 135.16 0.87 Allowed Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 116.624 2.083 . . . . 12.0 116.624 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 71.7 Cg_endo -71.42 102.75 1.32 Allowed 'Trans proline' 0 N--CA 1.481 0.748 0 C-N-CA 122.076 1.851 . . . . 12.0 109.507 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.565 ' HD3' ' C ' ' A' ' 21' ' ' PRO 0.279 0.0 OUTLIER 42.44 57.46 3.4 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.075 1.879 . . . . 12.0 116.075 176.684 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 20' ' ' ASN . 10.7 m0 -119.72 138.76 53.1 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 112.606 -2.088 . . . . 12.0 110.623 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD23 HG21 ' A' ' 14' ' ' VAL . 5.0 mp -114.07 113.78 25.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.433 -1.712 . . . . 12.0 110.242 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.618 ' OG ' HG22 ' A' ' 17' ' ' VAL . 58.4 m -71.06 72.38 0.59 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 124.596 1.185 . . . . 12.0 110.894 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 m -72.93 99.0 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 112.4 -2.182 . . . . 12.0 110.144 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -124.72 113.17 17.61 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 113.265 -1.789 . . . . 12.0 111.561 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -127.31 164.9 20.75 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 123.366 1.555 . . . . 12.0 111.636 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 11' ' ' ASN . 1.4 mm-40 -118.22 110.75 17.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 112.843 -1.981 . . . . 12.0 108.149 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.476 ' HB3' ' CD2' ' A' ' 65' ' ' HIS . 17.3 p-10 -28.93 152.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 114.283 1.216 . . . . 12.0 114.283 173.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HG2' ' HB3' ' A' ' 34' ' ' TRP . 37.7 Cg_endo -58.22 108.88 0.43 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 121.672 1.582 . . . . 12.0 110.094 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -40.76 63.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.428 0.529 . . . . 12.0 112.428 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -48.18 -37.52 15.93 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.244 1.018 . . . . 12.0 113.093 171.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.552 ' HB3' ' HG2' ' A' ' 31' ' ' PRO . 73.1 t-105 -94.97 146.65 24.1 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.324 1.059 . . . . 12.0 109.278 175.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -50.11 6.22 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.83 1.419 . . . . 12.0 114.83 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' PHE . 4.9 t 69.61 -18.53 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.456 1.902 . . . . 12.0 115.875 178.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.451 ' HA ' HH21 ' A' ' 40' ' ' ARG . 9.6 t -70.13 33.57 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.949 2.099 . . . . 12.0 115.081 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' SER . 38.3 m-85 -168.72 -55.09 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 128.669 2.788 . . . . 12.0 110.089 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -109.17 82.18 1.56 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 122.273 1.035 . . . . 12.0 109.855 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 14.6 tpp85 -73.0 77.67 1.18 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 112.176 -2.284 . . . . 12.0 112.081 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD13 ' HE1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -67.41 150.23 49.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.612 -2.086 . . . . 12.0 116.201 -175.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.659 ' HA ' ' HB3' ' A' ' 63' ' ' LEU . 60.1 mtp180 -100.67 110.35 22.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 111.213 -2.721 . . . . 12.0 111.592 -170.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' HE1' HD13 ' A' ' 41' ' ' LEU . 24.9 m-85 -84.35 144.74 28.63 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 112.19 -2.277 . . . . 12.0 112.486 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.769 ' HB2' ' HB2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -88.82 -171.32 3.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 113.8 -1.545 . . . . 12.0 112.106 169.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 67' ' ' CYS . 2.6 mt -159.99 41.58 0.19 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.747 1.619 . . . . 12.0 111.301 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.69 99.73 2.65 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 122.645 1.212 . . . . 12.0 111.814 -169.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.641 ' HD1' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -123.35 167.1 14.24 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 112.031 -2.35 . . . . 12.0 111.17 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' HB2' ' HA ' ' A' ' 55' ' ' PHE . 2.3 ttt-85 -175.44 121.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 105.33 -2.1 . . . . 12.0 105.33 -175.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 73' ' ' TRP . . . -50.55 148.91 3.48 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.001 0.813 . . . . 12.0 111.421 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 77' ' ' ARG . 1.8 tm-20 -40.14 -44.7 1.87 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 12.0 113.904 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.72 -40.97 19.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 113.359 -1.746 . . . . 12.0 114.941 175.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.2 t -45.07 128.57 7.33 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.281 1.032 . . . . 12.0 112.162 -168.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -80.31 -3.37 49.14 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 114.156 -1.384 . . . . 12.0 114.492 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.3 t -137.36 152.5 49.76 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.569 0.747 . . . . 12.0 111.994 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -100.64 131.22 46.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 111.774 -2.466 . . . . 12.0 109.752 -175.065 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.641 HG23 ' HD1' ' A' ' 47' ' ' TYR 0.314 1.2 t -112.47 82.07 1.58 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 112.522 -2.127 . . . . 12.0 109.077 -170.259 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.8 m -75.41 113.13 12.46 Favored 'General case' 0 N--CA 1.484 1.247 1 CA-C-N 108.088 -4.142 . . . . 12.0 112.102 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -136.29 143.1 44.02 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.066 0.853 . . . . 12.0 111.771 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -97.27 79.38 2.8 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.231 0.538 . . . . 12.0 110.826 169.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 67' ' ' CYS . 14.2 p -10.77 85.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-N 111.627 -2.533 . . . . 12.0 116.117 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? 13.9 77.19 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.473 1.509 . . . . 12.0 113.474 -165.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 78.37 -62.08 0.35 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 113.707 -1.588 . . . . 12.0 111.287 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.659 ' HB3' ' HA ' ' A' ' 42' ' ' ARG . 2.7 pp 178.55 104.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.004 2.521 . . . . 12.0 107.961 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.437 ' H ' HG13 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -142.08 136.03 29.73 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.741 -1.225 . . . . 12.0 107.714 174.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.476 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 33.9 m80 -75.58 20.29 0.17 Allowed 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 114.51 1.3 . . . . 12.0 114.51 -173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER 179.36 115.24 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.221 1.809 . . . . 12.0 109.157 -165.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.639 ' HB2' HG23 ' A' ' 60' ' ' VAL . 28.9 t -140.58 -159.91 1.01 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 112.612 -2.086 . . . . 12.0 107.488 168.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -149.1 131.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.693 -1.594 . . . . 12.0 107.833 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.555 HG21 ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -37.63 -26.09 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 116.513 2.042 . . . . 12.0 116.513 174.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.287 0.0 OUTLIER 46.68 -37.62 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.153 2.581 . . . . 12.0 117.706 -159.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.462 ' C ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -135.08 75.67 1.58 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.108 0.963 . . . . 12.0 113.501 -178.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 69' ' ' ILE . . . -92.57 -167.74 1.81 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.379 0.609 . . . . 12.0 111.365 175.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 1.4 m-90 -107.94 139.84 41.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.07 -0.968 . . . . 12.0 109.905 162.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -4.97 -128.36 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 129.71 3.204 . . . . 12.0 116.625 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.29 45.3 3.37 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.017 -0.833 . . . . 12.0 111.017 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.84 103.01 14.87 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.194 0.521 . . . . 12.0 110.034 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -70.25 132.96 46.53 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.434 -1.257 . . . . 12.0 110.674 -178.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.549 ' O ' ' HA ' ' A' ' 101' ' ' MET . 38.6 p-80 -146.88 -161.87 1.42 Allowed 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 114.44 1.274 . . . . 12.0 114.44 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 99' ' ' GLU . 7.2 p -109.34 129.24 64.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.692 1.597 . . . . 12.0 108.843 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG12 ' HB3' ' A' ' 100' ' ' ALA . 7.6 p -104.56 133.96 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 113.868 -1.515 . . . . 12.0 110.517 166.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.435 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 19.8 mm-40 -113.94 109.94 19.29 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 113.296 -1.774 . . . . 12.0 113.971 -172.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.486 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . 3.2 mm? -104.08 89.57 3.32 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 116.52 2.044 . . . . 12.0 116.52 -168.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.769 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 90.6 mtt-85 -68.62 147.19 52.27 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.308 -0.86 . . . . 12.0 112.534 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.95 87.7 2.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 105.347 -2.094 . . . . 12.0 105.347 165.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.573 ' HG3' ' CE3' ' A' ' 93' ' ' TRP . 0.7 OUTLIER -76.73 -120.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 112.557 -2.111 . . . . 12.0 108.85 176.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HA ' ' HB3' ' A' ' 41' ' ' LEU . 1.7 mm-40 -174.19 139.78 0.64 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.622 1.569 . . . . 12.0 108.512 -172.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -73.64 38.38 0.1 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.393 1.257 . . . . 12.0 114.393 172.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB3' ' HG2' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 177.66 -26.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.395 1.258 . . . . 12.0 114.395 -165.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.465 ' H ' ' HB3' ' A' ' 86' ' ' GLU . . . 61.46 61.71 6.56 Favored Glycine 0 N--CA 1.479 1.514 0 C-N-CA 124.891 1.234 . . . . 12.0 112.301 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 88' ' ' PHE . 55.7 mm-40 -91.74 -108.99 0.1 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 117.302 -1.333 . . . . 12.0 110.514 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -26.12 -82.63 0.01 OUTLIER Glycine 0 N--CA 1.489 2.224 0 C-N-CA 125.934 1.73 . . . . 12.0 115.239 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -175.79 149.91 0.99 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.99 1.316 . . . . 12.0 109.892 167.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.573 ' CE3' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -53.45 138.6 33.04 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.112 -0.949 . . . . 12.0 109.768 160.243 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 p -60.3 145.26 48.24 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.283 0.475 . . . . 12.0 112.283 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -81.64 51.74 1.75 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.558 1.143 . . . . 12.0 112.318 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.435 ' CE3' ' HB3' ' A' ' 81' ' ' GLN . 59.2 m95 62.57 146.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.907 -1.952 . . . . 12.0 113.079 -165.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.5 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 56.6 p -113.84 175.74 1.75 Allowed Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 112.146 -2.297 . . . . 12.0 110.946 -172.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.5 ' HD2' ' HB2' ' A' ' 97' ' ' SER . 19.0 Cg_endo -52.41 153.92 12.57 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.314 2.009 . . . . 12.0 115.188 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.592 ' HB2' HG23 ' A' ' 79' ' ' VAL . 7.5 pm0 -98.43 110.16 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 110.396 -3.093 . . . . 12.0 112.486 -172.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.569 ' HB3' HG12 ' A' ' 80' ' ' VAL . . . -92.22 95.12 9.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.864 -1.062 . . . . 12.0 109.41 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.549 ' HA ' ' O ' ' A' ' 78' ' ' HIS . 48.1 mtm -93.03 115.05 27.76 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 111.421 -2.627 . . . . 12.0 110.856 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.473 ' HA3' HG13 ' A' ' 14' ' ' VAL . . . -160.04 170.76 36.21 Favored Glycine 0 N--CA 1.478 1.487 0 CA-C-N 113.53 -1.668 . . . . 12.0 111.141 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.26 1.617 0 N-CA-C 116.773 2.138 . . . . 12.0 116.773 -165.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mmm . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 117.234 2.309 . . . . 12.0 117.234 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.7 -154.51 22.15 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.66 1.6 . . . . 12.0 109.364 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 5' ' ' GLN . 13.2 tt -73.73 80.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 122.391 1.091 . . . . 12.0 112.192 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 4' ' ' LEU 0.254 0.3 OUTLIER -67.69 -7.68 28.96 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.845 1.054 . . . . 12.0 113.845 174.346 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -11.35 92.48 0.04 OUTLIER Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 128.006 2.523 . . . . 12.0 115.758 -176.291 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 5' ' ' GLN . 67.2 Cg_endo -64.4 150.55 88.06 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 121.392 1.395 . . . . 12.0 109.381 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' PRO . 2.5 m-20 -77.48 151.73 80.69 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.86 -1.064 . . . . 12.0 112.486 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' O ' ' HB3' ' A' ' 31' ' ' PRO . 21.0 Cg_endo -60.9 146.98 96.81 Favored 'Trans proline' 0 N--CA 1.482 0.839 0 C-N-CA 123.081 2.521 . . . . 12.0 111.64 170.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HG3' ' HB3' ' A' ' 82' ' ' LEU . 28.6 Cg_endo -60.0 152.62 63.53 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.791 2.327 . . . . 12.0 113.656 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.4 166.72 10.55 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 112.416 -2.175 . . . . 12.0 108.556 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.609 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.7 t-20 53.02 35.54 19.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 122.829 1.3 . . . . 12.0 113.52 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.98 94.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 114.044 -1.434 . . . . 12.0 111.02 172.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.5 m -119.78 143.66 47.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 112.481 -2.145 . . . . 12.0 109.736 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 HD23 ' A' ' 24' ' ' LEU . 13.1 p -139.61 140.11 37.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 112.657 -2.065 . . . . 12.0 109.904 170.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 25' ' ' SER . 3.1 t -135.79 165.59 25.25 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.247 -1.342 . . . . 12.0 112.44 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.95 62.2 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 116.11 1.893 . . . . 12.0 116.11 -174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' OG ' ' A' ' 25' ' ' SER . 1.9 t 58.73 144.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 126.531 1.933 . . . . 12.0 109.416 -163.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.15 101.13 2.71 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.844 -0.616 . . . . 12.0 110.571 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' NH1' ' HD3' ' A' ' 21' ' ' PRO 0.273 0.0 OUTLIER 79.4 -24.6 0.21 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.224 1.935 . . . . 12.0 116.224 170.812 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.471 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -38.2 135.16 0.87 Allowed Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 116.624 2.083 . . . . 12.0 116.624 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 71.7 Cg_endo -71.42 102.75 1.32 Allowed 'Trans proline' 0 N--CA 1.481 0.748 0 C-N-CA 122.076 1.851 . . . . 12.0 109.507 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.561 ' HD3' ' C ' ' A' ' 21' ' ' PRO 0.279 0.0 OUTLIER 42.44 57.46 3.4 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.075 1.879 . . . . 12.0 116.075 176.684 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 20' ' ' ASN . 10.7 m0 -119.72 138.76 53.1 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 112.606 -2.088 . . . . 12.0 110.623 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 14' ' ' VAL . 5.0 mp -114.07 113.78 25.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.433 -1.712 . . . . 12.0 110.242 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.616 ' OG ' HG22 ' A' ' 17' ' ' VAL . 58.4 m -71.06 72.38 0.59 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 124.596 1.185 . . . . 12.0 110.894 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 m -72.93 99.0 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 112.4 -2.182 . . . . 12.0 110.144 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -124.72 113.17 17.61 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 113.265 -1.789 . . . . 12.0 111.561 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -127.31 164.9 20.75 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 123.366 1.555 . . . . 12.0 111.636 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HB2' ' HB3' ' A' ' 11' ' ' ASN . 1.4 mm-40 -118.22 110.75 17.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 112.843 -1.981 . . . . 12.0 108.149 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 65' ' ' HIS . 17.3 p-10 -28.93 152.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 114.283 1.216 . . . . 12.0 114.283 173.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.563 ' HG2' ' HB3' ' A' ' 34' ' ' TRP . 37.7 Cg_endo -58.22 108.88 0.43 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 121.672 1.582 . . . . 12.0 110.094 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -40.76 63.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.428 0.529 . . . . 12.0 112.428 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -48.18 -37.52 15.93 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.244 1.018 . . . . 12.0 113.093 171.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.563 ' HB3' ' HG2' ' A' ' 31' ' ' PRO . 73.1 t-105 -94.97 146.65 24.1 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.324 1.059 . . . . 12.0 109.278 175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -50.11 6.22 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.83 1.419 . . . . 12.0 114.83 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 38' ' ' PHE . 4.9 t 69.61 -18.53 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.456 1.902 . . . . 12.0 115.875 178.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.424 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 9.6 t -70.13 33.57 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.949 2.099 . . . . 12.0 115.081 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' SER . 38.3 m-85 -168.72 -55.09 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 128.669 2.788 . . . . 12.0 110.089 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -109.17 82.18 1.56 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 122.273 1.035 . . . . 12.0 109.855 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 14.6 tpp85 -73.0 77.67 1.18 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 112.176 -2.284 . . . . 12.0 112.081 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 HD13 ' HE1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -67.41 150.23 49.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.612 -2.086 . . . . 12.0 116.201 -175.497 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.671 ' HA ' ' HB3' ' A' ' 63' ' ' LEU . 60.1 mtp180 -100.67 110.35 22.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 111.213 -2.721 . . . . 12.0 111.592 -170.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' HE1' HD13 ' A' ' 41' ' ' LEU . 24.9 m-85 -84.35 144.74 28.63 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 112.19 -2.277 . . . . 12.0 112.486 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.765 ' HB2' ' HB2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -88.82 -171.32 3.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 113.8 -1.545 . . . . 12.0 112.106 169.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 67' ' ' CYS . 2.6 mt -159.99 41.58 0.19 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.747 1.619 . . . . 12.0 111.301 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.69 99.73 2.65 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 122.645 1.212 . . . . 12.0 111.814 -169.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' HD1' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -123.35 167.1 14.24 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 112.031 -2.35 . . . . 12.0 111.17 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' HB2' ' HA ' ' A' ' 55' ' ' PHE . 2.3 ttt-85 -175.44 121.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 105.33 -2.1 . . . . 12.0 105.33 -175.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 73' ' ' TRP . . . -50.55 148.91 3.48 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.001 0.813 . . . . 12.0 111.421 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 77' ' ' ARG . 1.8 tm-20 -40.14 -44.7 1.87 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 12.0 113.904 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.72 -40.97 19.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 113.359 -1.746 . . . . 12.0 114.941 175.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.2 t -45.07 128.57 7.33 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.281 1.032 . . . . 12.0 112.162 -168.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -80.31 -3.37 49.14 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 114.156 -1.384 . . . . 12.0 114.492 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.3 t -137.36 152.5 49.76 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.569 0.747 . . . . 12.0 111.994 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.496 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -100.64 131.22 46.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 111.774 -2.466 . . . . 12.0 109.752 -175.065 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.625 HG23 ' HD1' ' A' ' 47' ' ' TYR 0.314 1.2 t -112.47 82.07 1.58 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 112.522 -2.127 . . . . 12.0 109.077 -170.259 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.8 m -75.41 113.13 12.46 Favored 'General case' 0 N--CA 1.484 1.247 1 CA-C-N 108.088 -4.142 . . . . 12.0 112.102 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -136.29 143.1 44.02 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.066 0.853 . . . . 12.0 111.771 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.437 ' HA ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -97.27 79.38 2.8 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.231 0.538 . . . . 12.0 110.826 169.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 67' ' ' CYS . 14.2 p -10.77 85.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-N 111.627 -2.533 . . . . 12.0 116.117 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? 13.9 77.19 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.473 1.509 . . . . 12.0 113.474 -165.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 78.37 -62.08 0.35 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 113.707 -1.588 . . . . 12.0 111.287 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 42' ' ' ARG . 2.7 pp 178.55 104.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.004 2.521 . . . . 12.0 107.961 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.418 ' H ' HG13 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -142.08 136.03 29.73 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.741 -1.225 . . . . 12.0 107.714 174.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 33.9 m80 -75.58 20.29 0.17 Allowed 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 114.51 1.3 . . . . 12.0 114.51 -173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 64' ' ' GLN . 0.1 OUTLIER 179.36 115.24 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.221 1.809 . . . . 12.0 109.157 -165.355 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.65 ' HB2' HG23 ' A' ' 60' ' ' VAL . 28.9 t -140.58 -159.91 1.01 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 112.612 -2.086 . . . . 12.0 107.488 168.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -149.1 131.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.693 -1.594 . . . . 12.0 107.833 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -37.63 -26.09 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 116.513 2.042 . . . . 12.0 116.513 174.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.287 0.0 OUTLIER 46.68 -37.62 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.153 2.581 . . . . 12.0 117.706 -159.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -135.08 75.67 1.58 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.108 0.963 . . . . 12.0 113.501 -178.32 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 69' ' ' ILE . . . -92.57 -167.74 1.81 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.379 0.609 . . . . 12.0 111.365 175.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 1.4 m-90 -107.94 139.84 41.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.07 -0.968 . . . . 12.0 109.905 162.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -4.97 -128.36 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 129.71 3.204 . . . . 12.0 116.625 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.29 45.3 3.37 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.017 -0.833 . . . . 12.0 111.017 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.84 103.01 14.87 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.194 0.521 . . . . 12.0 110.034 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -70.25 132.96 46.53 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.434 -1.257 . . . . 12.0 110.674 -178.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.548 ' O ' ' HA ' ' A' ' 101' ' ' MET . 38.6 p-80 -146.88 -161.87 1.42 Allowed 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 114.44 1.274 . . . . 12.0 114.44 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 99' ' ' GLU . 7.2 p -109.34 129.24 64.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.692 1.597 . . . . 12.0 108.843 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.557 HG12 ' HB3' ' A' ' 100' ' ' ALA . 7.6 p -104.56 133.96 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 113.868 -1.515 . . . . 12.0 110.517 166.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 19.8 mm-40 -113.94 109.94 19.29 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 113.296 -1.774 . . . . 12.0 113.971 -172.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . 3.2 mm? -104.08 89.57 3.32 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 116.52 2.044 . . . . 12.0 116.52 -168.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.765 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 90.6 mtt-85 -68.62 147.19 52.27 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.308 -0.86 . . . . 12.0 112.534 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.95 87.7 2.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 105.347 -2.094 . . . . 12.0 105.347 165.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.573 ' HG3' ' CE3' ' A' ' 93' ' ' TRP . 0.7 OUTLIER -76.73 -120.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 112.557 -2.111 . . . . 12.0 108.85 176.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.514 ' HB3' ' H ' ' A' ' 89' ' ' GLY . 1.7 mm-40 -174.19 139.78 0.64 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.622 1.569 . . . . 12.0 108.512 -172.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -73.64 38.38 0.1 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.393 1.257 . . . . 12.0 114.393 172.668 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' HB3' ' HG2' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 177.66 -26.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.395 1.258 . . . . 12.0 114.395 -165.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.514 ' H ' ' HB3' ' A' ' 86' ' ' GLU . . . 61.46 61.71 6.56 Favored Glycine 0 N--CA 1.479 1.514 0 C-N-CA 124.891 1.234 . . . . 12.0 112.301 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' HG2' ' HB3' ' A' ' 88' ' ' PHE . 55.7 mm-40 -91.74 -108.99 0.1 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 117.302 -1.333 . . . . 12.0 110.514 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -26.12 -82.63 0.01 OUTLIER Glycine 0 N--CA 1.489 2.224 0 C-N-CA 125.934 1.73 . . . . 12.0 115.239 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -175.79 149.91 0.99 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.99 1.316 . . . . 12.0 109.892 167.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.573 ' CE3' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -53.45 138.6 33.04 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.112 -0.949 . . . . 12.0 109.768 160.243 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 p -60.3 145.26 48.24 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.283 0.475 . . . . 12.0 112.283 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -81.64 51.74 1.75 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.558 1.143 . . . . 12.0 112.318 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 81' ' ' GLN . 59.2 m95 62.57 146.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.907 -1.952 . . . . 12.0 113.079 -165.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.492 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 56.6 p -113.84 175.74 1.75 Allowed Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 112.146 -2.297 . . . . 12.0 110.946 -172.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 97' ' ' SER . 19.0 Cg_endo -52.41 153.92 12.57 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.314 2.009 . . . . 12.0 115.188 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.636 ' HB2' HG23 ' A' ' 79' ' ' VAL . 7.5 pm0 -98.43 110.16 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 110.396 -3.093 . . . . 12.0 112.486 -172.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.557 ' HB3' HG12 ' A' ' 80' ' ' VAL . . . -92.22 95.12 9.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.864 -1.062 . . . . 12.0 109.41 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.548 ' HA ' ' O ' ' A' ' 78' ' ' HIS . 48.1 mtm -93.03 115.05 27.76 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 111.421 -2.627 . . . . 12.0 110.856 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 14' ' ' VAL . . . -160.04 170.76 36.21 Favored Glycine 0 N--CA 1.478 1.487 0 CA-C-N 113.53 -1.668 . . . . 12.0 111.141 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.26 1.617 0 N-CA-C 116.773 2.138 . . . . 12.0 116.773 -165.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mmm . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 117.234 2.309 . . . . 12.0 117.234 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.7 -154.51 22.15 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.66 1.6 . . . . 12.0 109.364 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 5' ' ' GLN . 13.2 tt -73.73 80.59 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 122.391 1.091 . . . . 12.0 112.192 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 4' ' ' LEU 0.254 0.3 OUTLIER -67.69 -7.68 28.96 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.845 1.054 . . . . 12.0 113.845 174.346 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -11.35 92.48 0.04 OUTLIER Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 128.006 2.523 . . . . 12.0 115.758 -176.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 5' ' ' GLN . 67.2 Cg_endo -64.4 150.55 88.06 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 121.392 1.395 . . . . 12.0 109.381 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' PRO . 2.5 m-20 -77.48 151.73 80.69 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.86 -1.064 . . . . 12.0 112.486 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' O ' ' HB3' ' A' ' 31' ' ' PRO . 21.0 Cg_endo -60.9 146.98 96.81 Favored 'Trans proline' 0 N--CA 1.482 0.839 0 C-N-CA 123.081 2.521 . . . . 12.0 111.64 170.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HG3' ' HB3' ' A' ' 82' ' ' LEU . 28.6 Cg_endo -60.0 152.62 63.53 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.791 2.327 . . . . 12.0 113.656 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.4 166.72 10.55 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 112.416 -2.175 . . . . 12.0 108.556 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.609 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.7 t-20 53.02 35.54 19.75 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 122.829 1.3 . . . . 12.0 113.52 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.98 94.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 114.044 -1.434 . . . . 12.0 111.02 172.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.5 m -119.78 143.66 47.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 112.481 -2.145 . . . . 12.0 109.736 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 HD23 ' A' ' 24' ' ' LEU . 13.1 p -139.61 140.11 37.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 112.657 -2.065 . . . . 12.0 109.904 170.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 25' ' ' SER . 3.1 t -135.79 165.59 25.25 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.247 -1.342 . . . . 12.0 112.44 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.95 62.2 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 116.11 1.893 . . . . 12.0 116.11 -174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' OG ' ' A' ' 25' ' ' SER . 1.9 t 58.73 144.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 126.531 1.933 . . . . 12.0 109.416 -163.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.15 101.13 2.71 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.844 -0.616 . . . . 12.0 110.571 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' NH1' ' HD3' ' A' ' 21' ' ' PRO 0.273 0.0 OUTLIER 79.4 -24.6 0.21 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.224 1.935 . . . . 12.0 116.224 170.812 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.471 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-20 -38.2 135.16 0.87 Allowed Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 116.624 2.083 . . . . 12.0 116.624 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 71.7 Cg_endo -71.42 102.75 1.32 Allowed 'Trans proline' 0 N--CA 1.481 0.748 0 C-N-CA 122.076 1.851 . . . . 12.0 109.507 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.561 ' HD3' ' C ' ' A' ' 21' ' ' PRO 0.279 0.0 OUTLIER 42.44 57.46 3.4 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.075 1.879 . . . . 12.0 116.075 176.684 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 20' ' ' ASN . 10.7 m0 -119.72 138.76 53.1 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 112.606 -2.088 . . . . 12.0 110.623 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 14' ' ' VAL . 5.0 mp -114.07 113.78 25.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.433 -1.712 . . . . 12.0 110.242 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.616 ' OG ' HG22 ' A' ' 17' ' ' VAL . 58.4 m -71.06 72.38 0.59 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 124.596 1.185 . . . . 12.0 110.894 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 m -72.93 99.0 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 112.4 -2.182 . . . . 12.0 110.144 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -124.72 113.17 17.61 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 113.265 -1.789 . . . . 12.0 111.561 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -127.31 164.9 20.75 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 123.366 1.555 . . . . 12.0 111.636 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HB2' ' HB3' ' A' ' 11' ' ' ASN . 1.4 mm-40 -118.22 110.75 17.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 112.843 -1.981 . . . . 12.0 108.149 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 65' ' ' HIS . 17.3 p-10 -28.93 152.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 114.283 1.216 . . . . 12.0 114.283 173.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.563 ' HG2' ' HB3' ' A' ' 34' ' ' TRP . 37.7 Cg_endo -58.22 108.88 0.43 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 121.672 1.582 . . . . 12.0 110.094 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -40.76 63.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.428 0.529 . . . . 12.0 112.428 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 t -48.18 -37.52 15.93 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.244 1.018 . . . . 12.0 113.093 171.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.563 ' HB3' ' HG2' ' A' ' 31' ' ' PRO . 73.1 t-105 -94.97 146.65 24.1 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.324 1.059 . . . . 12.0 109.278 175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -50.11 6.22 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.83 1.419 . . . . 12.0 114.83 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 38' ' ' PHE . 4.9 t 69.61 -18.53 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.456 1.902 . . . . 12.0 115.875 178.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.424 ' HA ' ' NH2' ' A' ' 40' ' ' ARG . 9.6 t -70.13 33.57 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.949 2.099 . . . . 12.0 115.081 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' SER . 38.3 m-85 -168.72 -55.09 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 128.669 2.788 . . . . 12.0 110.089 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -109.17 82.18 1.56 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 122.273 1.035 . . . . 12.0 109.855 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 87' ' ' GLU . 14.6 tpp85 -73.0 77.67 1.18 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 112.176 -2.284 . . . . 12.0 112.081 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 HD13 ' HE1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -67.41 150.23 49.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.612 -2.086 . . . . 12.0 116.201 -175.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.671 ' HA ' ' HB3' ' A' ' 63' ' ' LEU . 60.1 mtp180 -100.67 110.35 22.47 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 111.213 -2.721 . . . . 12.0 111.592 -170.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' HE1' HD13 ' A' ' 41' ' ' LEU . 24.9 m-85 -84.35 144.74 28.63 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 112.19 -2.277 . . . . 12.0 112.486 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.765 ' HB2' ' HB2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -88.82 -171.32 3.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 113.8 -1.545 . . . . 12.0 112.106 169.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 67' ' ' CYS . 2.6 mt -159.99 41.58 0.19 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.747 1.619 . . . . 12.0 111.301 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.69 99.73 2.65 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 122.645 1.212 . . . . 12.0 111.814 -169.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' HD1' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -123.35 167.1 14.24 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 112.031 -2.35 . . . . 12.0 111.17 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' HB2' ' HA ' ' A' ' 55' ' ' PHE . 2.3 ttt-85 -175.44 121.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 105.33 -2.1 . . . . 12.0 105.33 -175.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 73' ' ' TRP . . . -50.55 148.91 3.48 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.001 0.813 . . . . 12.0 111.421 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 77' ' ' ARG . 1.8 tm-20 -40.14 -44.7 1.87 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.904 1.076 . . . . 12.0 113.904 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.72 -40.97 19.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 113.359 -1.746 . . . . 12.0 114.941 175.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.2 t -45.07 128.57 7.33 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.281 1.032 . . . . 12.0 112.162 -168.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -80.31 -3.37 49.14 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 114.156 -1.384 . . . . 12.0 114.492 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.3 t -137.36 152.5 49.76 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.569 0.747 . . . . 12.0 111.994 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.496 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -100.64 131.22 46.66 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 111.774 -2.466 . . . . 12.0 109.752 -175.065 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.625 HG23 ' HD1' ' A' ' 47' ' ' TYR 0.314 1.2 t -112.47 82.07 1.58 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 112.522 -2.127 . . . . 12.0 109.077 -170.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.8 m -75.41 113.13 12.46 Favored 'General case' 0 N--CA 1.484 1.247 1 CA-C-N 108.088 -4.142 . . . . 12.0 112.102 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -136.29 143.1 44.02 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.066 0.853 . . . . 12.0 111.771 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.437 ' HA ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -97.27 79.38 2.8 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.231 0.538 . . . . 12.0 110.826 169.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 67' ' ' CYS . 14.2 p -10.77 85.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-N 111.627 -2.533 . . . . 12.0 116.117 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? 13.9 77.19 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.473 1.509 . . . . 12.0 113.474 -165.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 78.37 -62.08 0.35 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 113.707 -1.588 . . . . 12.0 111.287 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 42' ' ' ARG . 2.7 pp 178.55 104.75 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.004 2.521 . . . . 12.0 107.961 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.418 ' H ' HG13 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -142.08 136.03 29.73 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.741 -1.225 . . . . 12.0 107.714 174.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 33.9 m80 -75.58 20.29 0.17 Allowed 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 114.51 1.3 . . . . 12.0 114.51 -173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER 179.36 115.24 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.221 1.809 . . . . 12.0 109.157 -165.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.65 ' HB2' HG23 ' A' ' 60' ' ' VAL . 28.9 t -140.58 -159.91 1.01 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 112.612 -2.086 . . . . 12.0 107.488 168.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 m -149.1 131.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.693 -1.594 . . . . 12.0 107.833 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -37.63 -26.09 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 116.513 2.042 . . . . 12.0 116.513 174.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.287 0.0 OUTLIER 46.68 -37.62 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.153 2.581 . . . . 12.0 117.706 -159.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -135.08 75.67 1.58 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.108 0.963 . . . . 12.0 113.501 -178.32 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 69' ' ' ILE . . . -92.57 -167.74 1.81 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.379 0.609 . . . . 12.0 111.365 175.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 1.4 m-90 -107.94 139.84 41.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.07 -0.968 . . . . 12.0 109.905 162.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -4.97 -128.36 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 129.71 3.204 . . . . 12.0 116.625 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.29 45.3 3.37 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.017 -0.833 . . . . 12.0 111.017 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.84 103.01 14.87 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.194 0.521 . . . . 12.0 110.034 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -70.25 132.96 46.53 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.434 -1.257 . . . . 12.0 110.674 -178.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.548 ' O ' ' HA ' ' A' ' 101' ' ' MET . 38.6 p-80 -146.88 -161.87 1.42 Allowed 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 114.44 1.274 . . . . 12.0 114.44 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 99' ' ' GLU . 7.2 p -109.34 129.24 64.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.692 1.597 . . . . 12.0 108.843 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.557 HG12 ' HB3' ' A' ' 100' ' ' ALA . 7.6 p -104.56 133.96 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 113.868 -1.515 . . . . 12.0 110.517 166.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 19.8 mm-40 -113.94 109.94 19.29 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 113.296 -1.774 . . . . 12.0 113.971 -172.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . 3.2 mm? -104.08 89.57 3.32 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 116.52 2.044 . . . . 12.0 116.52 -168.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.765 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 90.6 mtt-85 -68.62 147.19 52.27 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.308 -0.86 . . . . 12.0 112.534 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.95 87.7 2.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 105.347 -2.094 . . . . 12.0 105.347 165.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.573 ' HG3' ' CE3' ' A' ' 93' ' ' TRP . 0.7 OUTLIER -76.73 -120.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 112.557 -2.111 . . . . 12.0 108.85 176.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.514 ' HB3' ' H ' ' A' ' 89' ' ' GLY . 1.7 mm-40 -174.19 139.78 0.64 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.622 1.569 . . . . 12.0 108.512 -172.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -73.64 38.38 0.1 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.393 1.257 . . . . 12.0 114.393 172.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' HB3' ' HG2' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 177.66 -26.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.395 1.258 . . . . 12.0 114.395 -165.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.514 ' H ' ' HB3' ' A' ' 86' ' ' GLU . . . 61.46 61.71 6.56 Favored Glycine 0 N--CA 1.479 1.514 0 C-N-CA 124.891 1.234 . . . . 12.0 112.301 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' HG2' ' HB3' ' A' ' 88' ' ' PHE . 55.7 mm-40 -91.74 -108.99 0.1 Allowed 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 117.302 -1.333 . . . . 12.0 110.514 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -26.12 -82.63 0.01 OUTLIER Glycine 0 N--CA 1.489 2.224 0 C-N-CA 125.934 1.73 . . . . 12.0 115.239 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -175.79 149.91 0.99 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.99 1.316 . . . . 12.0 109.892 167.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.573 ' CE3' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -53.45 138.6 33.04 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.112 -0.949 . . . . 12.0 109.768 160.243 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 p -60.3 145.26 48.24 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.283 0.475 . . . . 12.0 112.283 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -81.64 51.74 1.75 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.558 1.143 . . . . 12.0 112.318 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 81' ' ' GLN . 59.2 m95 62.57 146.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.907 -1.952 . . . . 12.0 113.079 -165.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.492 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 56.6 p -113.84 175.74 1.75 Allowed Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 112.146 -2.297 . . . . 12.0 110.946 -172.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 97' ' ' SER . 19.0 Cg_endo -52.41 153.92 12.57 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.314 2.009 . . . . 12.0 115.188 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.636 ' HB2' HG23 ' A' ' 79' ' ' VAL . 7.5 pm0 -98.43 110.16 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 110.396 -3.093 . . . . 12.0 112.486 -172.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.557 ' HB3' HG12 ' A' ' 80' ' ' VAL . . . -92.22 95.12 9.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.864 -1.062 . . . . 12.0 109.41 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.548 ' HA ' ' O ' ' A' ' 78' ' ' HIS . 48.1 mtm -93.03 115.05 27.76 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 111.421 -2.627 . . . . 12.0 110.856 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 14' ' ' VAL . . . -160.04 170.76 36.21 Favored Glycine 0 N--CA 1.478 1.487 0 CA-C-N 113.53 -1.668 . . . . 12.0 111.141 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.26 1.617 0 N-CA-C 116.773 2.138 . . . . 12.0 116.773 -165.744 . . . . . . . . 1 1 . 1 stop_ save_