data_2k51_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 2k51 _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' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.7 t -156.24 -31.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.205 0.526 . . . . 0.0 110.956 179.749 -171.744 -167.047 68.804 103.751 2.029 104.086 141.056 -176.496 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.68 101.6 0.47 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.389 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.0 103.34 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.591 0.234 . . . . 0.0 110.667 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.561 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 69.67 50.93 27.88 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.102 -174.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -84.15 105.67 6.41 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.92 0.39 . . . . 0.0 111.156 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 68.6 Cg_endo -78.23 102.33 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.426 2.084 . . . . 0.0 110.502 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HB2' ' HB3' ' A' ' 13' ' ' ASN . 12.0 t90 -80.73 5.19 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.547 0.689 . . . . 0.0 109.973 -170.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.435 ' HA2' ' CE1' ' A' ' 46' ' ' PHE . . . 110.15 -115.42 4.12 Favored Glycine 0 C--O 1.245 0.785 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.987 171.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -104.62 24.99 10.86 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.13 0.491 . . . . 0.0 110.135 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . . . -154.18 140.68 18.81 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.14 173.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.2 p -63.8 135.95 57.03 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 73' ' ' ASP . 12.1 p30 -57.03 -30.27 64.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.693 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.2 tp -57.71 -22.37 45.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.151 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.91 43.4 0.87 Allowed Glycine 0 N--CA 1.437 -1.238 0 C-N-CA 120.736 -0.745 . . . . 0.0 114.37 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -137.22 122.62 12.85 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 117.331 0.565 . . . . 0.0 110.41 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.64 137.11 44.88 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 123.393 2.729 . . . . 0.0 114.755 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.2 m -77.45 139.48 39.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.165 177.428 -62.064 -74.275 -77.552 106.01 2.035 105.452 -174.4 70.961 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 tp -92.95 166.28 12.46 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.621 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 68.3 m80 -76.29 140.24 41.43 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.484 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.64 ' CH2' ' HA ' ' A' ' 58' ' ' CYS . 98.5 m95 -65.03 -29.52 70.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.614 -173.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -85.53 -7.17 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.621 ' HG3' ' HB2' ' A' ' 20' ' ' HIS . 33.7 mt-10 -102.05 8.65 40.81 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.254 -0.279 . . . . 0.0 110.944 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -70.9 117.97 60.98 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.865 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 149.39 82.9 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.034 2.489 . . . . 0.0 112.418 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.56 -27.39 81.8 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.2 2.6 . . . . 0.0 111.816 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -97.33 93.83 6.73 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD22 ' CE1' ' A' ' 59' ' ' PHE . 16.3 tp -96.4 139.27 32.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.3 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -84.41 -36.27 22.52 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.542 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -108.98 142.95 38.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.012 0.434 . . . . 0.0 111.171 171.373 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -90.31 127.37 53.37 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.333 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.59 152.65 48.57 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 123.018 2.478 . . . . 0.0 111.874 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.75 -25.82 81.81 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.302 2.668 . . . . 0.0 112.629 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.46 -178.36 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.174 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 t -63.72 135.5 56.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.561 ' HZ3' HE22 ' A' ' 42' ' ' GLN . 57.9 p-90 -110.9 13.68 22.15 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.296 -178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.5 -35.4 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -90.24 15.13 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.192 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 48' ' ' ARG . 35.5 mt -70.82 -27.95 64.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 58.82 34.3 23.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.929 -1.487 . . . . 0.0 112.418 167.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.31 31.21 6.82 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.218 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.561 HE22 ' HZ3' ' A' ' 36' ' ' TRP . 35.8 mm-40 -47.88 -58.85 6.78 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -171.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 42' ' ' GLN . 20.1 Cg_endo -59.35 -21.53 61.21 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.619 2.213 . . . . 0.0 113.688 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.616 ' HA ' ' HD2' ' A' ' 20' ' ' HIS . 30.2 p80 -131.96 -169.33 2.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.315 0.579 . . . . 0.0 111.138 -171.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.602 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 34.8 p-10 -124.34 150.05 45.93 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 40.2 t80 166.02 144.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.5 m -52.14 129.68 28.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.412 0.445 . . . . 0.0 111.15 172.968 -55.789 -101.851 -85.44 104.045 2.033 104.565 -164.196 -52.598 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.653 ' HB2' HD13 ' A' ' 39' ' ' LEU . 1.1 mmp_? -130.53 135.9 48.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.394 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.97 ' HB2' ' HA ' ' A' ' 56' ' ' PRO . 17.4 t -161.57 102.09 1.2 Allowed Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.441 0.162 . . . . 0.0 111.416 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 3.0 Cg_exo -77.2 -47.53 0.13 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.478 2.119 . . . . 0.0 111.029 171.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -143.38 -172.48 3.71 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.109 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.4 -74.7 0.32 Allowed Glycine 0 C--N 1.313 -0.735 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.457 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -154.32 25.93 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.806 0.336 . . . . 0.0 110.549 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.68 43.29 86.36 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.706 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HD3' ' HB2' ' A' ' 73' ' ' ASP . 18.1 ttm-85 -142.86 113.25 5.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -174.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.97 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 21.9 Cg_exo -65.91 149.41 86.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.909 2.406 . . . . 0.0 112.468 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -148.13 156.18 42.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.416 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.64 ' HA ' ' CH2' ' A' ' 21' ' ' TRP . 18.7 p -135.74 169.54 17.4 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 120.988 0.423 . . . . 0.0 109.881 175.769 70.961 -174.4 -77.552 105.452 2.035 106.01 -74.275 -62.064 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.634 ' CE1' HD22 ' A' ' 28' ' ' LEU . 48.5 m-85 -91.88 122.31 34.29 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -107.05 149.31 27.71 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.713 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.54 ' HG3' HG22 ' A' ' 67' ' ' VAL . 41.2 ttt-85 -116.86 126.77 53.51 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.466 HD22 ' HB2' ' A' ' 66' ' ' LYS . 1.5 p30 -98.95 168.42 10.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.183 0.516 . . . . 0.0 110.339 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.11 17.7 1.2 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.005 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -112.85 -0.22 14.98 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.047 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.11 -0.67 51.05 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.033 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HB2' HD22 ' A' ' 62' ' ' ASN . 32.3 mtmt -95.15 151.59 19.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.37 -176.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' HG3' ' A' ' 61' ' ' ARG . 39.3 t -129.63 100.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.169 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -128.83 169.09 14.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 62.5 p-90 -102.12 151.29 22.35 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.648 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.73 147.01 17.55 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.363 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.84 130.23 39.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.327 0.584 . . . . 0.0 111.708 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 41.6 m -88.22 82.63 7.06 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.95 -52.598 -164.196 -85.44 104.565 2.033 104.045 -101.851 -55.789 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.566 ' HB2' ' HD3' ' A' ' 55' ' ' ARG . 20.6 t70 -129.11 -68.02 0.76 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.702 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 41.8 t 170.04 73.92 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.676 0.79 . . . . 0.0 109.049 170.743 -176.496 141.056 68.804 104.086 2.029 103.751 -167.047 -171.744 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.6 70.11 1.16 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.718 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -82.37 107.66 15.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.899 0.38 . . . . 0.0 110.577 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.947 -0.919 . . . . 0.0 111.226 177.598 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.7 t -156.24 -31.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.205 0.526 . . . . 0.0 110.956 179.749 -171.744 -167.047 68.804 103.751 2.029 104.086 141.056 -176.496 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.68 101.6 0.47 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.389 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.0 103.34 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.591 0.234 . . . . 0.0 110.667 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.57 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 69.67 50.93 27.88 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.102 -174.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -84.15 105.67 6.41 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.92 0.39 . . . . 0.0 111.156 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 68.6 Cg_endo -78.23 102.33 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.426 2.084 . . . . 0.0 110.502 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 13' ' ' ASN . 12.0 t90 -80.73 5.19 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.547 0.689 . . . . 0.0 109.973 -170.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 46' ' ' PHE . . . 110.15 -115.42 4.12 Favored Glycine 0 C--O 1.245 0.785 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.987 171.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -104.62 24.99 10.86 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.13 0.491 . . . . 0.0 110.135 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' TRP . . . -154.18 140.68 18.81 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.14 173.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.2 p -63.8 135.95 57.03 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.628 HD21 ' N ' ' A' ' 73' ' ' ASP . 12.1 p30 -57.03 -30.27 64.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.693 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.2 tp -57.71 -22.37 45.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.151 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.91 43.4 0.87 Allowed Glycine 0 N--CA 1.437 -1.238 0 C-N-CA 120.736 -0.745 . . . . 0.0 114.37 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -137.22 122.62 12.85 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 117.331 0.565 . . . . 0.0 110.41 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.64 137.11 44.88 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 123.393 2.729 . . . . 0.0 114.755 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 72.2 m -77.45 139.48 39.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.165 177.428 -62.064 -74.275 -77.552 106.01 2.035 105.452 -174.4 70.961 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 tp -92.95 166.28 12.46 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.625 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 68.3 m80 -76.29 140.24 41.43 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.484 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.644 ' CH2' ' HA ' ' A' ' 58' ' ' CYS . 98.5 m95 -65.03 -29.52 70.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.614 -173.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -85.53 -7.17 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.625 ' HG3' ' HB2' ' A' ' 20' ' ' HIS . 33.7 mt-10 -102.05 8.65 40.81 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.254 -0.279 . . . . 0.0 110.944 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -70.9 117.97 60.98 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.865 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 149.39 82.9 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.034 2.489 . . . . 0.0 112.418 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.56 -27.39 81.8 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.2 2.6 . . . . 0.0 111.816 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -97.33 93.83 6.73 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 59' ' ' PHE . 16.3 tp -96.4 139.27 32.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.3 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -84.41 -36.27 22.52 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.542 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.98 142.95 38.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.012 0.434 . . . . 0.0 111.171 171.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -90.31 127.37 53.37 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.333 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 63.9 Cg_endo -73.59 152.65 48.57 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 123.018 2.478 . . . . 0.0 111.874 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 31.6 Cg_exo -60.75 -25.82 81.81 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.302 2.668 . . . . 0.0 112.629 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.46 -178.36 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.174 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 t -63.72 135.5 56.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.433 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . 57.9 p-90 -110.9 13.68 22.15 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.296 -178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.5 -35.4 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -90.24 15.13 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.192 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' A' ' 48' ' ' ARG . 35.5 mt -70.82 -27.95 64.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 58.82 34.3 23.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.929 -1.487 . . . . 0.0 112.418 167.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.31 31.21 6.82 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.218 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 18.6 mm100 -47.88 -58.85 6.78 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -171.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 42' ' ' GLN . 20.1 Cg_endo -59.35 -21.53 61.21 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.619 2.213 . . . . 0.0 113.688 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.624 ' HA ' ' HD2' ' A' ' 20' ' ' HIS . 30.2 p80 -131.96 -169.33 2.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.315 0.579 . . . . 0.0 111.138 -171.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 34.8 p-10 -124.34 150.05 45.93 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 40.2 t80 166.02 144.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.5 m -52.14 129.68 28.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.412 0.445 . . . . 0.0 111.15 172.968 -55.789 -101.851 -85.44 104.045 2.033 104.565 -164.196 -52.598 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.692 ' HB2' HD13 ' A' ' 39' ' ' LEU . 1.1 mmp_? -130.53 135.9 48.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.394 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.975 ' HB2' ' HA ' ' A' ' 56' ' ' PRO . 17.4 t -161.57 102.09 1.2 Allowed Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.441 0.162 . . . . 0.0 111.416 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 3.0 Cg_exo -77.2 -47.53 0.13 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.478 2.119 . . . . 0.0 111.029 171.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -143.38 -172.48 3.71 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.109 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.4 -74.7 0.32 Allowed Glycine 0 C--N 1.313 -0.735 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.457 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -154.32 25.93 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.806 0.336 . . . . 0.0 110.549 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.68 43.29 86.36 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.706 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 73' ' ' ASP . 18.1 ttm-85 -142.86 113.25 5.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -174.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.975 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 21.9 Cg_exo -65.91 149.41 86.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.909 2.406 . . . . 0.0 112.468 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -148.13 156.18 42.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.416 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' HA ' ' CH2' ' A' ' 21' ' ' TRP . 18.7 p -135.74 169.54 17.4 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 120.988 0.423 . . . . 0.0 109.881 175.769 70.961 -174.4 -77.552 105.452 2.035 106.01 -74.275 -62.064 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 28' ' ' LEU . 48.5 m-85 -91.88 122.31 34.29 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 41.3 p90 -107.05 149.31 27.71 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.713 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HG3' HG22 ' A' ' 67' ' ' VAL . 41.2 ttt-85 -116.86 126.77 53.51 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.498 HD21 ' HB2' ' A' ' 66' ' ' LYS . 1.5 p30 -98.95 168.42 10.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.183 0.516 . . . . 0.0 110.339 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.11 17.7 1.2 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.005 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -112.85 -0.22 14.98 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.047 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.11 -0.67 51.05 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.033 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HB2' HD21 ' A' ' 62' ' ' ASN . 32.3 mtmt -95.15 151.59 19.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.37 -176.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HG3' ' A' ' 61' ' ' ARG . 39.3 t -129.63 100.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.169 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -128.83 169.09 14.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.582 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 62.5 p-90 -102.12 151.29 22.35 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.648 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.73 147.01 17.55 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.363 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.84 130.23 39.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.327 0.584 . . . . 0.0 111.708 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 41.6 m -88.22 82.63 7.06 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.95 -52.598 -164.196 -85.44 104.565 2.033 104.045 -101.851 -55.789 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.628 ' N ' HD21 ' A' ' 13' ' ' ASN . 20.6 t70 -129.11 -68.02 0.76 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.702 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 41.8 t 170.04 73.92 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.676 0.79 . . . . 0.0 109.049 170.743 -176.496 141.056 68.804 104.086 2.029 103.751 -167.047 -171.744 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.6 70.11 1.16 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.718 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -82.37 107.66 15.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.899 0.38 . . . . 0.0 110.577 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.947 -0.919 . . . . 0.0 111.226 177.598 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.7 t -156.24 -31.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.205 0.526 . . . . 0.0 110.956 179.749 -171.744 -167.047 68.804 103.751 2.029 104.086 141.056 -176.496 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.68 101.6 0.47 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.389 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.0 103.34 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.591 0.234 . . . . 0.0 110.667 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.57 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 69.67 50.93 27.88 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.102 -174.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -84.15 105.67 6.41 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.92 0.39 . . . . 0.0 111.156 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 68.6 Cg_endo -78.23 102.33 1.56 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.426 2.084 . . . . 0.0 110.502 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 13' ' ' ASN . 12.0 t90 -80.73 5.19 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.547 0.689 . . . . 0.0 109.973 -170.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 46' ' ' PHE . . . 110.15 -115.42 4.12 Favored Glycine 0 C--O 1.245 0.785 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.987 171.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -104.62 24.99 10.86 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.13 0.491 . . . . 0.0 110.135 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' TRP . . . -154.18 140.68 18.81 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.14 173.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.2 p -63.8 135.95 57.03 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.628 HD21 ' N ' ' A' ' 73' ' ' ASP . 12.1 p30 -57.03 -30.27 64.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.693 -175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.2 tp -57.71 -22.37 45.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.151 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.91 43.4 0.87 Allowed Glycine 0 N--CA 1.437 -1.238 0 C-N-CA 120.736 -0.745 . . . . 0.0 114.37 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.7 t -137.22 122.62 12.85 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 117.331 0.565 . . . . 0.0 110.41 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.64 137.11 44.88 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 123.393 2.729 . . . . 0.0 114.755 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 72.2 m -77.45 139.48 39.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.165 177.428 -62.064 -74.275 -77.552 106.01 2.035 105.452 -174.4 70.961 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 tp -92.95 166.28 12.46 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.625 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 68.3 m80 -76.29 140.24 41.43 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.484 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.644 ' CH2' ' HA ' ' A' ' 58' ' ' CYS . 98.5 m95 -65.03 -29.52 70.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.614 -173.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -85.53 -7.17 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.625 ' HG3' ' HB2' ' A' ' 20' ' ' HIS . 33.7 mt-10 -102.05 8.65 40.81 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.254 -0.279 . . . . 0.0 110.944 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -70.9 117.97 60.98 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.865 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 149.39 82.9 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.034 2.489 . . . . 0.0 112.418 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.56 -27.39 81.8 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.2 2.6 . . . . 0.0 111.816 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -97.33 93.83 6.73 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 59' ' ' PHE . 16.3 tp -96.4 139.27 32.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.3 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -84.41 -36.27 22.52 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.542 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.98 142.95 38.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.012 0.434 . . . . 0.0 111.171 171.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -90.31 127.37 53.37 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.333 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 63.9 Cg_endo -73.59 152.65 48.57 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 123.018 2.478 . . . . 0.0 111.874 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 31.6 Cg_exo -60.75 -25.82 81.81 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.302 2.668 . . . . 0.0 112.629 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.46 -178.36 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.174 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.0 t -63.72 135.5 56.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.603 ' HZ3' HE22 ' A' ' 42' ' ' GLN . 57.9 p-90 -110.9 13.68 22.15 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.296 -178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.5 -35.4 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 110.616 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -90.24 15.13 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.192 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' A' ' 48' ' ' ARG . 35.5 mt -70.82 -27.95 64.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 58.82 34.3 23.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.929 -1.487 . . . . 0.0 112.418 167.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.31 31.21 6.82 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.218 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.603 HE22 ' HZ3' ' A' ' 36' ' ' TRP . 35.8 mm-40 -47.88 -58.85 6.78 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -171.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 42' ' ' GLN . 20.1 Cg_endo -59.35 -21.53 61.21 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.619 2.213 . . . . 0.0 113.688 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.624 ' HA ' ' HD2' ' A' ' 20' ' ' HIS . 30.2 p80 -131.96 -169.33 2.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.315 0.579 . . . . 0.0 111.138 -171.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 34.8 p-10 -124.34 150.05 45.93 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 40.2 t80 166.02 144.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.5 m -52.14 129.68 28.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.412 0.445 . . . . 0.0 111.15 172.968 -55.789 -101.851 -85.44 104.045 2.033 104.565 -164.196 -52.598 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.692 ' HB2' HD13 ' A' ' 39' ' ' LEU . 1.1 mmp_? -130.53 135.9 48.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.394 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.975 ' HB2' ' HA ' ' A' ' 56' ' ' PRO . 17.4 t -161.57 102.09 1.2 Allowed Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.441 0.162 . . . . 0.0 111.416 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 3.0 Cg_exo -77.2 -47.53 0.13 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.478 2.119 . . . . 0.0 111.029 171.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -143.38 -172.48 3.71 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.109 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.4 -74.7 0.32 Allowed Glycine 0 C--N 1.313 -0.735 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.457 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -154.32 25.93 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.806 0.336 . . . . 0.0 110.549 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.68 43.29 86.36 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.706 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 73' ' ' ASP . 18.1 ttm-85 -142.86 113.25 5.85 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -174.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.975 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 21.9 Cg_exo -65.91 149.41 86.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.909 2.406 . . . . 0.0 112.468 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -148.13 156.18 42.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.416 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' HA ' ' CH2' ' A' ' 21' ' ' TRP . 18.7 p -135.74 169.54 17.4 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 120.988 0.423 . . . . 0.0 109.881 175.769 70.961 -174.4 -77.552 105.452 2.035 106.01 -74.275 -62.064 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 28' ' ' LEU . 48.5 m-85 -91.88 122.31 34.29 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 168.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 41.3 p90 -107.05 149.31 27.71 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.713 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HG3' HG22 ' A' ' 67' ' ' VAL . 41.2 ttt-85 -116.86 126.77 53.51 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.498 HD21 ' HB2' ' A' ' 66' ' ' LYS . 1.5 p30 -98.95 168.42 10.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.183 0.516 . . . . 0.0 110.339 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.11 17.7 1.2 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.005 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -112.85 -0.22 14.98 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.047 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.11 -0.67 51.05 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.033 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HB2' HD21 ' A' ' 62' ' ' ASN . 32.3 mtmt -95.15 151.59 19.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.37 -176.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HG3' ' A' ' 61' ' ' ARG . 39.3 t -129.63 100.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.169 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -128.83 169.09 14.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.582 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 62.5 p-90 -102.12 151.29 22.35 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.648 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.73 147.01 17.55 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.363 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.84 130.23 39.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.327 0.584 . . . . 0.0 111.708 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 41.6 m -88.22 82.63 7.06 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 171.95 -52.598 -164.196 -85.44 104.565 2.033 104.045 -101.851 -55.789 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.628 ' N ' HD21 ' A' ' 13' ' ' ASN . 20.6 t70 -129.11 -68.02 0.76 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.702 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 41.8 t 170.04 73.92 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.676 0.79 . . . . 0.0 109.049 170.743 -176.496 141.056 68.804 104.086 2.029 103.751 -167.047 -171.744 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.6 70.11 1.16 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.718 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -82.37 107.66 15.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.899 0.38 . . . . 0.0 110.577 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.947 -0.919 . . . . 0.0 111.226 177.598 . . . . . . . . 0 0 . 1 stop_ save_