data_1qtu_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 1qtu _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 CA-C-O 119.939 -0.367 . . . . 10.0 112.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -66.84 -14.66 62.94 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.028 1.331 . . . . 10.0 112.803 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -75.69 55.92 0.88 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.694 1.598 . . . . 10.0 111.494 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.9 130.04 41.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.82 1.648 . . . . 10.0 110.243 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.75 -73.52 1.2 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.86 68.37 3.04 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.211 1.004 . . . . 10.0 109.191 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.12 161.61 24.2 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.025 1.33 . . . . 10.0 110.404 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.79 7.4 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.97 1.708 . . . . 10.0 112.788 -166.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.08 -63.71 1.3 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 127.22 2.343 . . . . 10.0 111.24 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.13 144.3 12.68 Favored Pre-proline 0 N--CA 1.449 -0.477 0 C-N-CA 125.017 1.327 . . . . 10.0 110.644 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.09 164.15 28.74 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.895 3.064 . . . . 10.0 111.848 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -65.78 106.26 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.674 2.916 . . . . 10.0 108.973 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.37 -23.56 65.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.56 1.144 . . . . 10.0 112.933 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -131.73 160.18 36.27 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.153 1.381 . . . . 10.0 107.424 161.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -127.96 130.41 48.37 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.457 -2.423 . . . . 10.0 104.457 159.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -114.93 118.42 33.43 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.803 -2.295 . . . . 10.0 104.803 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -68.58 136.91 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.263 -1.384 . . . . 10.0 107.263 173.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -137.71 -31.89 0.77 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.195 1.398 . . . . 10.0 111.168 -171.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -139.03 170.75 15.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.473 1.109 . . . . 10.0 109.302 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.69 99.79 0.25 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.444 1.098 . . . . 10.0 111.098 -169.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.4 20.03 79.15 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.522 1.534 . . . . 10.0 112.148 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.1 mt -129.26 119.09 47.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 124.881 1.272 . . . . 10.0 108.886 -169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 49.8 m-85 -93.19 166.04 12.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 127.891 2.477 . . . . 10.0 108.943 172.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -127.25 145.22 50.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.798 1.239 . . . . 10.0 108.891 171.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.31 167.09 21.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 128.234 2.613 . . . . 10.0 109.928 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.29 -27.07 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.823 1.249 . . . . 10.0 111.372 161.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -81.18 3.93 21.95 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.268 1.027 . . . . 10.0 111.426 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 69.91 28.29 4.26 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.955 2.102 . . . . 10.0 113.321 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -114.46 150.6 34.53 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.139 1.775 . . . . 10.0 108.931 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 p -91.33 146.28 23.95 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.619 1.167 . . . . 10.0 111.96 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -132.83 108.17 8.8 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.07 2.148 . . . . 10.0 108.745 -169.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -79.36 115.44 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 106.643 -1.614 . . . . 10.0 106.643 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.0 38.14 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.533 0.733 . . . . 10.0 110.049 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.12 171.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 125.665 1.586 . . . . 10.0 108.4 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -133.06 150.79 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.708 0.803 . . . . 10.0 111.381 -174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.77 172.23 13.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.594 1.957 . . . . 10.0 108.668 158.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -122.05 156.73 32.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.423 1.089 . . . . 10.0 110.309 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -136.19 173.18 11.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.729 1.612 . . . . 10.0 109.029 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -11.59 8.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.754 2.422 . . . . 10.0 113.567 -163.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -152.85 27.83 0.54 Allowed 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.235 -0.916 . . . . 10.0 113.321 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.43 161.47 38.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.003 0.921 . . . . 10.0 111.409 -172.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.254 4.2 pp -121.88 140.87 51.88 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 154.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -127.34 112.15 14.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.386 1.475 . . . . 10.0 107.279 -166.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.08 126.99 33.17 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.694 -1.225 . . . . 10.0 107.694 170.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -95.98 108.95 21.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.857 -1.905 . . . . 10.0 105.857 163.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.5 133.6 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 106.671 -1.603 . . . . 10.0 106.671 174.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -133.71 124.72 27.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.908 1.283 . . . . 10.0 110.265 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.511 HE22 ' NE2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -82.17 116.16 21.6 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.22 0.608 . . . . 10.0 109.824 -177.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 pt -150.43 139.84 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 126.089 1.755 . . . . 10.0 108.995 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.511 ' NE2' HE22 ' A' ' 48' ' ' GLN . 20.8 mp0 -72.33 113.34 9.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.418 2.287 . . . . 10.0 109.434 -172.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.84 150.19 75.15 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 125.349 1.459 . . . . 10.0 108.462 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.14 119.73 6.68 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 123.229 2.619 . . . . 10.0 111.231 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.12 148.44 17.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.065 1.746 . . . . 10.0 109.778 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.53 90.93 0.08 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 -169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.89 116.72 4.68 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.234 1.813 . . . . 10.0 111.917 -165.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.32 21.66 10.71 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -165.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 59.29 -7.67 0.05 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.919 2.488 . . . . 10.0 117.655 170.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 68.01 45.9 0.34 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 127.967 2.507 . . . . 10.0 117.005 163.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.87 -45.64 2.03 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.537 2.158 . . . . 10.0 109.742 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.483 ' HG ' ' CD2' ' A' ' 61' ' ' HIS . 3.0 p -43.31 -56.54 3.46 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.355 2.662 . . . . 10.0 111.466 168.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' CD2' ' HG ' ' A' ' 60' ' ' SER . 6.3 m80 -79.75 -28.51 40.41 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 118.569 -0.729 . . . . 10.0 111.068 -165.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.37 -55.93 17.75 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 165.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.6 -47.03 85.59 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.331 1.052 . . . . 10.0 110.967 -169.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.6 p -64.85 -72.6 0.15 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.357 6.3 p 45.43 27.3 0.36 Allowed 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 128.38 2.672 . . . . 10.0 115.667 -169.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -65.72 -72.59 0.15 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 103.61 -2.737 . . . . 10.0 103.61 158.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.7 144.33 90.88 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -89.48 177.11 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.854 2.369 . . . . 10.0 113.66 -165.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -44.35 76.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.387 1.475 . . . . 10.0 109.27 166.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.1 ttp -141.86 145.33 34.52 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.508 1.123 . . . . 10.0 110.55 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -110.84 152.19 26.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.133 1.773 . . . . 10.0 107.376 166.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -140.36 119.19 12.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.614 1.966 . . . . 10.0 107.376 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.43 144.93 55.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.873 0.844 . . . . 10.0 109.831 -176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.45 151.56 61.29 Favored Pre-proline 0 N--CA 1.446 -0.666 0 C-N-CA 126.102 1.761 . . . . 10.0 110.973 -163.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.99 163.13 2.24 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.659 2.906 . . . . 10.0 114.582 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 64.1 15.58 9.39 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 10.0 112.549 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 56.29 71.81 0.54 Allowed 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.837 1.655 . . . . 10.0 110.556 -167.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -131.33 179.99 5.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.709 -1.132 . . . . 10.0 108.801 165.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -132.74 118.79 19.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.847 2.059 . . . . 10.0 108.013 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.6 ttt -70.29 159.73 33.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 107.23 -1.396 . . . . 10.0 107.23 162.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -121.01 166.06 14.38 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.809 0.814 . . . . 10.0 113.095 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -63.98 -17.13 62.99 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.994 -1.003 . . . . 10.0 113.13 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -88.68 6.69 37.28 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.472 1.509 . . . . 10.0 111.375 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m 58.39 37.29 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.42 1.888 . . . . 10.0 113.598 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -116.82 174.41 6.1 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 158.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 tt -137.6 127.0 24.84 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 125.842 1.964 . . . . 10.0 109.52 -157.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -112.28 113.62 25.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 129.047 2.939 . . . . 10.0 109.008 -172.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.453 HE21 ' NE2' ' A' ' 90' ' ' GLN . 32.2 tt0 -79.04 136.43 37.18 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.218 -1.03 . . . . 10.0 108.218 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mt -68.38 135.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.453 ' NE2' HE21 ' A' ' 88' ' ' GLN 0.313 15.9 mm-40 -110.28 -25.19 10.25 Favored 'General case' 0 CA--C 1.591 2.526 0 C-N-CA 125.39 1.476 . . . . 10.0 109.526 170.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -166.32 151.66 8.34 Favored 'General case' 0 C--O 1.198 -1.651 0 O-C-N 126.97 2.668 . . . . 10.0 109.025 154.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -118.88 128.57 54.56 Favored 'General case' 0 CA--C 1.59 2.497 1 N-CA-C 99.673 -4.195 . . . . 10.0 99.673 155.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.39 178.36 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 119.405 1.002 . . . . 10.0 110.556 171.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 54.4 ttp -144.65 145.63 31.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.295 0.638 . . . . 10.0 110.137 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.44 115.94 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 125.353 1.461 . . . . 10.0 107.891 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 48.4 30.37 2.32 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.118 1.367 . . . . 10.0 112.962 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.64 79.52 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.922 1.249 . . . . 10.0 114.087 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.8 t -77.93 107.36 9.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 105.74 -1.948 . . . . 10.0 105.74 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -72.16 145.33 48.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 168.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -132.55 150.0 52.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.312 -1.366 . . . . 10.0 107.312 166.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.2 tp -147.77 110.91 4.85 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.753 1.621 . . . . 10.0 107.596 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.04 122.74 34.83 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.439 -1.319 . . . . 10.0 107.439 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.1 mt -120.63 125.06 46.79 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.447 1.899 . . . . 10.0 106.782 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -124.31 100.82 6.87 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 118.997 0.817 . . . . 10.0 111.123 -169.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.23 115.81 4.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.742 1.217 . . . . 10.0 109.13 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.05 152.6 28.16 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 124.084 0.954 . . . . 10.0 110.244 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -38.22 117.14 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.737 1 C-N-CA 125.735 4.29 . . . . 10.0 114.898 -168.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.437 ' H ' ' NH1' ' A' ' 110' ' ' ARG . 15.8 t0 -117.81 164.13 15.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 10.0 109.636 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -73.45 76.56 1.42 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.711 1.205 . . . . 10.0 109.845 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.437 ' NH1' ' H ' ' A' ' 108' ' ' ASP . 63.9 mtt85 -80.65 73.9 7.58 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 122.725 1.25 . . . . 10.0 110.87 -174.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.1 p -57.37 151.82 35.93 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 112.94 -1.936 . . . . 10.0 110.831 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.56 155.32 63.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.807 2.338 . . . . 10.0 110.794 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.68 -67.71 1.94 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.0 tp -136.89 150.91 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.63 1.572 . . . . 10.0 110.72 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 105.815 -1.92 . . . . 10.0 105.815 169.318 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 CA-C-O 119.939 -0.367 . . . . 10.0 112.921 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -66.84 -14.66 62.94 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.028 1.331 . . . . 10.0 112.803 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -75.69 55.92 0.88 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.694 1.598 . . . . 10.0 111.494 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.9 130.04 41.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.82 1.648 . . . . 10.0 110.243 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.75 -73.52 1.2 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.86 68.37 3.04 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.211 1.004 . . . . 10.0 109.191 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.12 161.61 24.2 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.025 1.33 . . . . 10.0 110.404 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.79 7.4 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.97 1.708 . . . . 10.0 112.788 -166.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.08 -63.71 1.3 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 127.22 2.343 . . . . 10.0 111.24 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.13 144.3 12.68 Favored Pre-proline 0 N--CA 1.449 -0.477 0 C-N-CA 125.017 1.327 . . . . 10.0 110.644 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.09 164.15 28.74 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.895 3.064 . . . . 10.0 111.848 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -65.78 106.26 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.674 2.916 . . . . 10.0 108.973 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.37 -23.56 65.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.56 1.144 . . . . 10.0 112.933 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -131.73 160.18 36.27 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.153 1.381 . . . . 10.0 107.424 161.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -127.96 130.41 48.37 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.457 -2.423 . . . . 10.0 104.457 159.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -114.93 118.42 33.43 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.803 -2.295 . . . . 10.0 104.803 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -68.58 136.91 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.263 -1.384 . . . . 10.0 107.263 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -137.71 -31.89 0.77 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.195 1.398 . . . . 10.0 111.168 -171.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 52.7 mt-30 -139.03 170.75 15.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.473 1.109 . . . . 10.0 109.302 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.69 99.79 0.25 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.444 1.098 . . . . 10.0 111.098 -169.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.4 20.03 79.15 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.522 1.534 . . . . 10.0 112.148 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.1 mt -129.26 119.09 47.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 124.881 1.272 . . . . 10.0 108.886 -169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -93.19 166.04 12.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 127.891 2.477 . . . . 10.0 108.943 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -127.25 145.22 50.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.798 1.239 . . . . 10.0 108.891 171.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.31 167.09 21.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 128.234 2.613 . . . . 10.0 109.928 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.29 -27.07 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.823 1.249 . . . . 10.0 111.372 161.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -81.18 3.93 21.95 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.268 1.027 . . . . 10.0 111.426 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 69.91 28.29 4.26 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.955 2.102 . . . . 10.0 113.321 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -114.46 150.6 34.53 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.139 1.775 . . . . 10.0 108.931 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 p -91.33 146.28 23.95 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.619 1.167 . . . . 10.0 111.96 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.461 ' HB3' HG12 ' A' ' 46' ' ' VAL . 50.2 m95 -132.83 108.17 8.8 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.07 2.148 . . . . 10.0 108.745 -169.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -79.36 115.44 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 106.643 -1.614 . . . . 10.0 106.643 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.0 38.14 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.533 0.733 . . . . 10.0 110.049 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.12 171.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 125.665 1.586 . . . . 10.0 108.4 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -133.06 150.79 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.708 0.803 . . . . 10.0 111.381 -174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.77 172.23 13.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.594 1.957 . . . . 10.0 108.668 158.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -122.05 156.73 32.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.423 1.089 . . . . 10.0 110.309 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -136.19 173.18 11.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.729 1.612 . . . . 10.0 109.029 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -11.59 8.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.754 2.422 . . . . 10.0 113.567 -163.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -152.85 27.83 0.54 Allowed 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.235 -0.916 . . . . 10.0 113.321 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.43 161.47 38.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.003 0.921 . . . . 10.0 111.409 -172.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.254 4.2 pp -121.88 140.87 51.88 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 154.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -127.34 112.15 14.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.386 1.475 . . . . 10.0 107.279 -166.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.08 126.99 33.17 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.694 -1.225 . . . . 10.0 107.694 170.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -95.98 108.95 21.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.857 -1.905 . . . . 10.0 105.857 163.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 133.6 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 106.671 -1.603 . . . . 10.0 106.671 174.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -133.71 124.72 27.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.908 1.283 . . . . 10.0 110.265 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.17 116.16 21.6 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.22 0.608 . . . . 10.0 109.824 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 pt -150.43 139.84 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 126.089 1.755 . . . . 10.0 108.995 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.483 ' NE2' ' H ' ' A' ' 50' ' ' GLN . 3.0 mp0 -72.33 113.34 9.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.418 2.287 . . . . 10.0 109.434 -172.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.84 150.19 75.15 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 125.349 1.459 . . . . 10.0 108.462 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.14 119.73 6.68 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 123.229 2.619 . . . . 10.0 111.231 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.12 148.44 17.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.065 1.746 . . . . 10.0 109.778 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.53 90.93 0.08 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 -169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.89 116.72 4.68 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.234 1.813 . . . . 10.0 111.917 -165.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . . . -98.32 21.66 10.71 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -165.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 59.29 -7.67 0.05 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.919 2.488 . . . . 10.0 117.655 170.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 68.01 45.9 0.34 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 127.967 2.507 . . . . 10.0 117.005 163.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.87 -45.64 2.03 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.537 2.158 . . . . 10.0 109.742 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 p -43.31 -56.54 3.46 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.355 2.662 . . . . 10.0 111.466 168.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -79.75 -28.51 40.41 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 118.569 -0.729 . . . . 10.0 111.068 -165.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.37 -55.93 17.75 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 165.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.6 -47.03 85.59 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.331 1.052 . . . . 10.0 110.967 -169.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.6 p -64.85 -72.6 0.15 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.357 6.3 p 45.43 27.3 0.36 Allowed 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 128.38 2.672 . . . . 10.0 115.667 -169.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -65.72 -72.59 0.15 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 103.61 -2.737 . . . . 10.0 103.61 158.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.7 144.33 90.88 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -89.48 177.11 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.854 2.369 . . . . 10.0 113.66 -165.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -44.35 76.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.387 1.475 . . . . 10.0 109.27 166.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.1 ttp -141.86 145.33 34.52 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.508 1.123 . . . . 10.0 110.55 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -110.84 152.19 26.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.133 1.773 . . . . 10.0 107.376 166.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -140.36 119.19 12.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.614 1.966 . . . . 10.0 107.376 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.43 144.93 55.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.873 0.844 . . . . 10.0 109.831 -176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.45 151.56 61.29 Favored Pre-proline 0 N--CA 1.446 -0.666 0 C-N-CA 126.102 1.761 . . . . 10.0 110.973 -163.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.99 163.13 2.24 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.659 2.906 . . . . 10.0 114.582 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 64.1 15.58 9.39 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 10.0 112.549 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 56.29 71.81 0.54 Allowed 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.837 1.655 . . . . 10.0 110.556 -167.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -131.33 179.99 5.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.709 -1.132 . . . . 10.0 108.801 165.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -132.74 118.79 19.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.847 2.059 . . . . 10.0 108.013 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.6 ttt -70.29 159.73 33.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 107.23 -1.396 . . . . 10.0 107.23 162.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -121.01 166.06 14.38 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.809 0.814 . . . . 10.0 113.095 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -63.98 -17.13 62.99 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.994 -1.003 . . . . 10.0 113.13 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -88.68 6.69 37.28 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.472 1.509 . . . . 10.0 111.375 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m 58.39 37.29 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.42 1.888 . . . . 10.0 113.598 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.454 HH11 HD11 ' A' ' 105' ' ' LEU . 11.8 mtp-105 -116.82 174.41 6.1 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 158.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 tt -137.6 127.0 24.84 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 125.842 1.964 . . . . 10.0 109.52 -157.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -112.28 113.62 25.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 129.047 2.939 . . . . 10.0 109.008 -172.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.448 HE21 ' NE2' ' A' ' 90' ' ' GLN . 32.2 tt0 -79.04 136.43 37.18 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.218 -1.03 . . . . 10.0 108.218 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mt -68.38 135.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.448 ' NE2' HE21 ' A' ' 88' ' ' GLN 0.313 15.9 mm-40 -110.28 -25.19 10.25 Favored 'General case' 0 CA--C 1.591 2.526 0 C-N-CA 125.39 1.476 . . . . 10.0 109.526 170.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -166.32 151.66 8.34 Favored 'General case' 0 C--O 1.198 -1.651 0 O-C-N 126.97 2.668 . . . . 10.0 109.025 154.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -118.88 128.57 54.56 Favored 'General case' 0 CA--C 1.59 2.497 1 N-CA-C 99.673 -4.195 . . . . 10.0 99.673 155.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.39 178.36 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 119.405 1.002 . . . . 10.0 110.556 171.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 54.4 ttp -144.65 145.63 31.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.295 0.638 . . . . 10.0 110.137 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.44 115.94 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 125.353 1.461 . . . . 10.0 107.891 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 48.4 30.37 2.32 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.118 1.367 . . . . 10.0 112.962 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.64 79.52 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.922 1.249 . . . . 10.0 114.087 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.8 t -77.93 107.36 9.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 105.74 -1.948 . . . . 10.0 105.74 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -72.16 145.33 48.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 168.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -132.55 150.0 52.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.312 -1.366 . . . . 10.0 107.312 166.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.2 tp -147.77 110.91 4.85 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.753 1.621 . . . . 10.0 107.596 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.04 122.74 34.83 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.439 -1.319 . . . . 10.0 107.439 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.1 mt -120.63 125.06 46.79 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.447 1.899 . . . . 10.0 106.782 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -124.31 100.82 6.87 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 118.997 0.817 . . . . 10.0 111.123 -169.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.454 HD11 HH11 ' A' ' 85' ' ' ARG . 46.9 tp -61.23 115.81 4.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.742 1.217 . . . . 10.0 109.13 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.05 152.6 28.16 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 124.084 0.954 . . . . 10.0 110.244 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' HA ' HH12 ' A' ' 110' ' ' ARG . 30.7 Cg_exo -38.22 117.14 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.737 1 C-N-CA 125.735 4.29 . . . . 10.0 114.898 -168.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.437 ' H ' ' NH1' ' A' ' 110' ' ' ARG . 15.8 t0 -117.81 164.13 15.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 10.0 109.636 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -73.45 76.56 1.42 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.711 1.205 . . . . 10.0 109.845 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.486 HH12 ' HA ' ' A' ' 107' ' ' PRO . 63.9 mtt85 -80.65 73.9 7.58 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 122.725 1.25 . . . . 10.0 110.87 -174.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.1 p -57.37 151.82 35.93 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 112.94 -1.936 . . . . 10.0 110.831 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.56 155.32 63.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.807 2.338 . . . . 10.0 110.794 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.68 -67.71 1.94 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.0 tp -136.89 150.91 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.63 1.572 . . . . 10.0 110.72 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 105.815 -1.92 . . . . 10.0 105.815 169.318 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 CA-C-O 119.939 -0.367 . . . . 10.0 112.921 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -66.84 -14.66 62.94 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.028 1.331 . . . . 10.0 112.803 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -75.69 55.92 0.88 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.694 1.598 . . . . 10.0 111.494 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.9 130.04 41.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.82 1.648 . . . . 10.0 110.243 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.75 -73.52 1.2 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.777 -0.929 . . . . 10.0 110.777 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.86 68.37 3.04 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.211 1.004 . . . . 10.0 109.191 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.12 161.61 24.2 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.025 1.33 . . . . 10.0 110.404 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.79 7.4 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.97 1.708 . . . . 10.0 112.788 -166.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.08 -63.71 1.3 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 127.22 2.343 . . . . 10.0 111.24 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.13 144.3 12.68 Favored Pre-proline 0 N--CA 1.449 -0.477 0 C-N-CA 125.017 1.327 . . . . 10.0 110.644 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.09 164.15 28.74 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.895 3.064 . . . . 10.0 111.848 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -65.78 106.26 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.674 2.916 . . . . 10.0 108.973 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.37 -23.56 65.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.56 1.144 . . . . 10.0 112.933 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -131.73 160.18 36.27 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.153 1.381 . . . . 10.0 107.424 161.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -127.96 130.41 48.37 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.457 -2.423 . . . . 10.0 104.457 159.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -114.93 118.42 33.43 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.803 -2.295 . . . . 10.0 104.803 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -68.58 136.91 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.263 -1.384 . . . . 10.0 107.263 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -137.71 -31.89 0.77 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.195 1.398 . . . . 10.0 111.168 -171.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 52.7 mt-30 -139.03 170.75 15.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.473 1.109 . . . . 10.0 109.302 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.69 99.79 0.25 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.444 1.098 . . . . 10.0 111.098 -169.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.4 20.03 79.15 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.522 1.534 . . . . 10.0 112.148 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.1 mt -129.26 119.09 47.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 124.881 1.272 . . . . 10.0 108.886 -169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -93.19 166.04 12.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 127.891 2.477 . . . . 10.0 108.943 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -127.25 145.22 50.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.798 1.239 . . . . 10.0 108.891 171.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.31 167.09 21.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 128.234 2.613 . . . . 10.0 109.928 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.29 -27.07 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.823 1.249 . . . . 10.0 111.372 161.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -81.18 3.93 21.95 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.268 1.027 . . . . 10.0 111.426 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 69.91 28.29 4.26 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.955 2.102 . . . . 10.0 113.321 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -114.46 150.6 34.53 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.139 1.775 . . . . 10.0 108.931 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 p -91.33 146.28 23.95 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.619 1.167 . . . . 10.0 111.96 -170.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.461 ' HB3' HG12 ' A' ' 46' ' ' VAL . 50.2 m95 -132.83 108.17 8.8 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.07 2.148 . . . . 10.0 108.745 -169.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -79.36 115.44 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 106.643 -1.614 . . . . 10.0 106.643 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.0 38.14 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.533 0.733 . . . . 10.0 110.049 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.12 171.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 125.665 1.586 . . . . 10.0 108.4 163.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -133.06 150.79 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.708 0.803 . . . . 10.0 111.381 -174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.77 172.23 13.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.594 1.957 . . . . 10.0 108.668 158.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -122.05 156.73 32.92 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.423 1.089 . . . . 10.0 110.309 -176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -136.19 173.18 11.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.729 1.612 . . . . 10.0 109.029 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -11.59 8.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.754 2.422 . . . . 10.0 113.567 -163.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -152.85 27.83 0.54 Allowed 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.235 -0.916 . . . . 10.0 113.321 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.43 161.47 38.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.003 0.921 . . . . 10.0 111.409 -172.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.254 4.2 pp -121.88 140.87 51.88 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 154.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -127.34 112.15 14.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.386 1.475 . . . . 10.0 107.279 -166.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.08 126.99 33.17 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.694 -1.225 . . . . 10.0 107.694 170.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -95.98 108.95 21.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.857 -1.905 . . . . 10.0 105.857 163.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 133.6 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 106.671 -1.603 . . . . 10.0 106.671 174.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -133.71 124.72 27.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.908 1.283 . . . . 10.0 110.265 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.506 HE22 ' NE2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -82.17 116.16 21.6 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.22 0.608 . . . . 10.0 109.824 -177.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 pt -150.43 139.84 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 126.089 1.755 . . . . 10.0 108.995 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.506 ' NE2' HE22 ' A' ' 48' ' ' GLN . 20.8 mp0 -72.33 113.34 9.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.418 2.287 . . . . 10.0 109.434 -172.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.84 150.19 75.15 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 125.349 1.459 . . . . 10.0 108.462 167.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.14 119.73 6.68 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 123.229 2.619 . . . . 10.0 111.231 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.12 148.44 17.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.065 1.746 . . . . 10.0 109.778 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.53 90.93 0.08 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 -169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.89 116.72 4.68 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.234 1.813 . . . . 10.0 111.917 -165.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 19' ' ' GLN . . . -98.32 21.66 10.71 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.672 1.36 . . . . 10.0 114.672 -165.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 59.29 -7.67 0.05 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.919 2.488 . . . . 10.0 117.655 170.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 68.01 45.9 0.34 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 127.967 2.507 . . . . 10.0 117.005 163.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.87 -45.64 2.03 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.537 2.158 . . . . 10.0 109.742 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 p -43.31 -56.54 3.46 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.355 2.662 . . . . 10.0 111.466 168.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -79.75 -28.51 40.41 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 118.569 -0.729 . . . . 10.0 111.068 -165.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.37 -55.93 17.75 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 165.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.6 -47.03 85.59 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.331 1.052 . . . . 10.0 110.967 -169.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.6 p -64.85 -72.6 0.15 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.357 6.3 p 45.43 27.3 0.36 Allowed 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 128.38 2.672 . . . . 10.0 115.667 -169.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -65.72 -72.59 0.15 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 103.61 -2.737 . . . . 10.0 103.61 158.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.7 144.33 90.88 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -89.48 177.11 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.854 2.369 . . . . 10.0 113.66 -165.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -44.35 76.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.387 1.475 . . . . 10.0 109.27 166.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.1 ttp -141.86 145.33 34.52 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.508 1.123 . . . . 10.0 110.55 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -110.84 152.19 26.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.133 1.773 . . . . 10.0 107.376 166.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -140.36 119.19 12.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.614 1.966 . . . . 10.0 107.376 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.43 144.93 55.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.873 0.844 . . . . 10.0 109.831 -176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.45 151.56 61.29 Favored Pre-proline 0 N--CA 1.446 -0.666 0 C-N-CA 126.102 1.761 . . . . 10.0 110.973 -163.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -52.99 163.13 2.24 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.659 2.906 . . . . 10.0 114.582 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 64.1 15.58 9.39 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.037 1.735 . . . . 10.0 112.549 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 56.29 71.81 0.54 Allowed 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.837 1.655 . . . . 10.0 110.556 -167.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -131.33 179.99 5.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.709 -1.132 . . . . 10.0 108.801 165.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -132.74 118.79 19.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.847 2.059 . . . . 10.0 108.013 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 26.6 ttt -70.29 159.73 33.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 107.23 -1.396 . . . . 10.0 107.23 162.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -121.01 166.06 14.38 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.809 0.814 . . . . 10.0 113.095 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -63.98 -17.13 62.99 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.994 -1.003 . . . . 10.0 113.13 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -88.68 6.69 37.28 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.472 1.509 . . . . 10.0 111.375 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m 58.39 37.29 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.42 1.888 . . . . 10.0 113.598 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.454 HH11 HD11 ' A' ' 105' ' ' LEU . 11.8 mtp-105 -116.82 174.41 6.1 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 158.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 tt -137.6 127.0 24.84 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 125.842 1.964 . . . . 10.0 109.52 -157.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -112.28 113.62 25.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 129.047 2.939 . . . . 10.0 109.008 -172.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.448 HE21 ' NE2' ' A' ' 90' ' ' GLN . 32.2 tt0 -79.04 136.43 37.18 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.218 -1.03 . . . . 10.0 108.218 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mt -68.38 135.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.448 ' NE2' HE21 ' A' ' 88' ' ' GLN 0.313 15.9 mm-40 -110.28 -25.19 10.25 Favored 'General case' 0 CA--C 1.591 2.526 0 C-N-CA 125.39 1.476 . . . . 10.0 109.526 170.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -166.32 151.66 8.34 Favored 'General case' 0 C--O 1.198 -1.651 0 O-C-N 126.97 2.668 . . . . 10.0 109.025 154.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -118.88 128.57 54.56 Favored 'General case' 0 CA--C 1.59 2.497 1 N-CA-C 99.673 -4.195 . . . . 10.0 99.673 155.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.39 178.36 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 119.405 1.002 . . . . 10.0 110.556 171.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 54.4 ttp -144.65 145.63 31.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.295 0.638 . . . . 10.0 110.137 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.44 115.94 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 125.353 1.461 . . . . 10.0 107.891 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 48.4 30.37 2.32 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.118 1.367 . . . . 10.0 112.962 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.64 79.52 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.922 1.249 . . . . 10.0 114.087 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.8 t -77.93 107.36 9.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 105.74 -1.948 . . . . 10.0 105.74 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -72.16 145.33 48.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 168.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -132.55 150.0 52.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.312 -1.366 . . . . 10.0 107.312 166.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.2 tp -147.77 110.91 4.85 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.753 1.621 . . . . 10.0 107.596 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -92.04 122.74 34.83 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.439 -1.319 . . . . 10.0 107.439 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.1 mt -120.63 125.06 46.79 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.447 1.899 . . . . 10.0 106.782 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -124.31 100.82 6.87 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 118.997 0.817 . . . . 10.0 111.123 -169.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.454 HD11 HH11 ' A' ' 85' ' ' ARG . 46.9 tp -61.23 115.81 4.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.742 1.217 . . . . 10.0 109.13 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.05 152.6 28.16 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 124.084 0.954 . . . . 10.0 110.244 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' HA ' HH12 ' A' ' 110' ' ' ARG . 30.7 Cg_exo -38.22 117.14 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.737 1 C-N-CA 125.735 4.29 . . . . 10.0 114.898 -168.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.437 ' H ' ' NH1' ' A' ' 110' ' ' ARG . 15.8 t0 -117.81 164.13 15.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 10.0 109.636 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -73.45 76.56 1.42 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.711 1.205 . . . . 10.0 109.845 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.486 HH12 ' HA ' ' A' ' 107' ' ' PRO . 63.9 mtt85 -80.65 73.9 7.58 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 122.725 1.25 . . . . 10.0 110.87 -174.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.1 p -57.37 151.82 35.93 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 112.94 -1.936 . . . . 10.0 110.831 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.56 155.32 63.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.807 2.338 . . . . 10.0 110.794 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.68 -67.71 1.94 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.0 tp -136.89 150.91 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.63 1.572 . . . . 10.0 110.72 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 105.815 -1.92 . . . . 10.0 105.815 169.318 . . . . . . . . 0 0 . 1 stop_ save_